N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

C143H177F2N35O6 — CID 158566470

IUPACN-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(CC)n1c(C(=O)NC)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2ccc(C)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2ccc(OC)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2cccc(C(C)(F)F)c2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21
InChIInChI=1S/C32H41N7O.C30H35F2N7O.C29H35N7O2.C29H35N7O.C23H31N7O/c1-6-26(7-2)39-28(30(40)35-24-10-8-23(9-11-24)32(3,4)5)20-22-21-34-31(37-29(22)39)36-25-12-14-27(15-13-25)38-18-16-33-17-19-38;1-4-24(5-2)39-26(28(40)35-23-8-6-7-21(18-23)30(3,31)32)17-20-19-34-29(37-27(20)39)36-22-9-11-25(12-10-22)38-15-13-33-14-16-38;1-4-23(5-2)36-26(28(37)32-21-8-12-25(38-3)13-9-21)18-20-19-31-29(34-27(20)36)33-22-6-10-24(11-7-22)35-16-14-30-15-17-35;1-4-24(5-2)36-26(28(37)32-22-8-6-20(3)7-9-22)18-21-19-31-29(34-27(21)36)33-23-10-12-25(13-11-23)35-16-14-30-15-17-35;1-4-18(5-2)30-20(22(31)24-3)14-16-15-26-23(28-21(16)30)27-17-6-8-19(9-7-17)29-12-10-25-11-13-29/h8-15,20-21,26,33H,6-7,16-19H2,1-5H3,(H,35,40)(H,34,36,37);6-12,17-19,24,33H,4-5,13-16H2,1-3H3,(H,35,40)(H,34,36,37);6-13,18-19,23,30H,4-5,14-17H2,1-3H3,(H,32,37)(H,31,33,34);6-13,18-19,24,30H,4-5,14-17H2,1-3H3,(H,32,37)(H,31,33,34);6-9,14-15,18,25H,4-5,10-13H2,1-3H3,(H,24,31)(H,26,27,28)
InChIKeyHRNRHVYOHMRYKN-UHFFFAOYSA-N
MW2520.22 g/mol
LogP26.82
Rot. Bonds41

About N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 158566470) has the molecular formula C143H177F2N35O6 and a molecular weight of 2520.22 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID158566470
Molecular FormulaC143H177F2N35O6
Molecular Weight2520.22 g/mol
Exact Mass2518.46
IUPAC NameN-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(CC)n1c(C(=O)NC)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2ccc(C)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2ccc(OC)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2cccc(C(C)(F)F)c2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21
InChIInChI=1S/C32H41N7O.C30H35F2N7O.C29H35N7O2.C29H35N7O.C23H31N7O/c1-6-26(7-2)39-28(30(40)35-24-10-8-23(9-11-24)32(3,4)5)20-22-21-34-31(37-29(22)39)36-25-12-14-27(15-13-25)38-18-16-33-17-19-38;1-4-24(5-2)39-26(28(40)35-23-8-6-7-21(18-23)30(3,31)32)17-20-19-34-29(37-27(20)39)36-22-9-11-25(12-10-22)38-15-13-33-14-16-38;1-4-23(5-2)36-26(28(37)32-21-8-12-25(38-3)13-9-21)18-20-19-31-29(34-27(20)36)33-22-6-10-24(11-7-22)35-16-14-30-15-17-35;1-4-24(5-2)36-26(28(37)32-22-8-6-20(3)7-9-22)18-21-19-31-29(34-27(21)36)33-23-10-12-25(13-11-23)35-16-14-30-15-17-35;1-4-18(5-2)30-20(22(31)24-3)14-16-15-26-23(28-21(16)30)27-17-6-8-19(9-7-17)29-12-10-25-11-13-29/h8-15,20-21,26,33H,6-7,16-19H2,1-5H3,(H,35,40)(H,34,36,37);6-12,17-19,24,33H,4-5,13-16H2,1-3H3,(H,35,40)(H,34,36,37);6-13,18-19,23,30H,4-5,14-17H2,1-3H3,(H,32,37)(H,31,33,34);6-13,18-19,24,30H,4-5,14-17H2,1-3H3,(H,32,37)(H,31,33,34);6-9,14-15,18,25H,4-5,10-13H2,1-3H3,(H,24,31)(H,26,27,28)
InChIKeyHRNRHVYOHMRYKN-UHFFFAOYSA-N
XLogP26.82
TPSA444.78 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds41
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002520.22
LogP ≤ 526.82
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[4-[4-amino-7-[2-[2-[4-[4-amino-7-[2-[2-[4-[4-amino-6-(6-ethynyl-2-fluoro-4-methyl-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenoxy]pyrimidin-4-yl]ethyl]-6-(6-ethynyl-2-fluoro-4-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenoxy]pyrimidin-4-yl]ethyl]-5-[(6S)-2-methoxy-7-oxospiro[5H-cyclopenta[b]pyridine-6,4'-cyclohexene]-1'-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
CID 155309992
5-(6-ethyl-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-ethyl-3-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157135157
N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methylindole-5-carboxamide;6-(5-methoxy-1-methylindol-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile;6-(5-methoxy-1-methylindol-3-yl)-4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157204082
N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-pentan-3-yl-2-(4-piperazin-1-ylanilino)-N-pyridin-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-pentan-3-yl-2-(4-piperazin-1-ylanilino)-N-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 157251071
N-[4-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 157322814
6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;bis(6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);5-(6-methyl-3-pyridinyl)-6-[(3S)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157559023
N-(3-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;1-[7-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-6-yl]ethanone;N-[4-(1,1-difluoroethyl)phenyl]-2-[4-[methyl-[2-(methylamino)ethyl]amino]anilino]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(3-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 157631611
6-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157735157
N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indole-5-carboxamide;3-[6-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpropanamide;2-[5-methoxy-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indol-1-yl]-1-morpholin-4-ylethanone;2-[5-methoxy-3-[4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]indol-1-yl]-1-piperidin-1-ylethanone
CID 157855391
N-[4-(difluoromethoxy)phenyl]-4-fluoro-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethyl)phenyl]pyrazin-2-amine;4-[[6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzaldehyde;6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157993298
6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-aminopyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-aminopyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158220800
[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 158317650

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 158566470) is N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide is CCC(CC)n1c(C(=O)NC)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2ccc(C)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2ccc(OC)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)Nc2cccc(C(C)(F)F)c2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.
What is the InChIKey of N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HRNRHVYOHMRYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7O.C30H35F2N7O.C29H35N7O2.C29H35N7O.C23H31N7O/c1-6-26(7-2)39-28(30(40)35-24-10-8-23(9-11-24)32(3,4)5)20-22-21-34-31(37-29(22)39)36-25-12-14-27(15-13-25)38-18-16-33-17-19-38;1-4-24(5-2)39-26(28(40)35-23-8-6-7-21(18-23)30(3,31)32)17-20-19-34-29(37-27(20)39)36-22-9-11-25(12-10-22)38-15-13-33-14-16-38;1-4-23(5-2)36-26(28(37)32-21-8-12-25(38-3)13-9-21)18-20-19-31-29(34-27(20)36)33-22-6-10-24(11-7-22)35-16-14-30-15-17-35;1-4-24(5-2)36-26(28(37)32-22-8-6-20(3)7-9-22)18-21-19-31-29(34-27(21)36)33-23-10-12-25(13-11-23)35-16-14-30-15-17-35;1-4-18(5-2)30-20(22(31)24-3)14-16-15-26-23(28-21(16)30)27-17-6-8-19(9-7-17)29-12-10-25-11-13-29/h8-15,20-21,26,33H,6-7,16-19H2,1-5H3,(H,35,40)(H,34,36,37);6-12,17-19,24,33H,4-5,13-16H2,1-3H3,(H,35,40)(H,34,36,37);6-13,18-19,23,30H,4-5,14-17H2,1-3H3,(H,32,37)(H,31,33,34);6-13,18-19,24,30H,4-5,14-17H2,1-3H3,(H,32,37)(H,31,33,34);6-9,14-15,18,25H,4-5,10-13H2,1-3H3,(H,24,31)(H,26,27,28).
What are the key properties of N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 2520.22 g/mol, XLogP of 26.82, 41 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methoxyphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-methyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 158566470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).