N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide

C110H124ClFN24O5 — CID 158056109

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cc(-c2cc3c(N4CCN(C(=O)N[C@@H](C)c5ccc(Cl)cc5)C(C)(C)C4)ncnc3[nH]2)ccn1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)N[C@@H](C)c4ccc(C)cc4)CC3)C2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)N[C@@H](C)c4ccc(C)cc4)[C@H](C)C3)C2)cc1.Cc1nn(C)cc1C1=Cc2c(ncnc2N2CCN(C(=O)N[C@@H](C)c3ccc(F)cc3)[C@H](C)C2)C1
InChIInChI=1S/C29H33N5O.C28H31N5O.C27H30ClN7O2.C26H30FN7O/c1-19-5-9-23(10-6-19)22(4)32-29(35)34-14-13-33(17-21(34)3)28-26-15-25(16-27(26)30-18-31-28)24-11-7-20(2)8-12-24;1-19-4-8-22(9-5-19)21(3)31-28(34)33-14-12-32(13-15-33)27-25-16-24(17-26(25)29-18-30-27)23-10-6-20(2)7-11-23;1-17(18-5-7-20(28)8-6-18)32-26(36)35-12-11-34(15-27(35,2)3)25-21-14-22(33-24(21)30-16-31-25)19-9-10-29-23(13-19)37-4;1-16-13-33(9-10-34(16)26(35)30-17(2)19-5-7-21(27)8-6-19)25-22-11-20(12-24(22)28-15-29-25)23-14-32(4)31-18(23)3/h5-12,15,18,21-22H,13-14,16-17H2,1-4H3,(H,32,35);4-11,16,18,21H,12-15,17H2,1-3H3,(H,31,34);5-10,13-14,16-17H,11-12,15H2,1-4H3,(H,32,36)(H,30,31,33);5-8,11,14-17H,9-10,12-13H2,1-4H3,(H,30,35)/t21-,22+;21-;17-;16-,17+/m1001/s1
InChIKeyFKBNYUWNUVIJLV-FQMOSWLZSA-N
MW1916.82 g/mol
LogP18.74
Rot. Bonds17

About N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 158056109) has the molecular formula C110H124ClFN24O5 and a molecular weight of 1916.82 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide
PubChem CID158056109
Molecular FormulaC110H124ClFN24O5
Molecular Weight1916.82 g/mol
Exact Mass1914.99
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cc(-c2cc3c(N4CCN(C(=O)N[C@@H](C)c5ccc(Cl)cc5)C(C)(C)C4)ncnc3[nH]2)ccn1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)N[C@@H](C)c4ccc(C)cc4)CC3)C2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)N[C@@H](C)c4ccc(C)cc4)[C@H](C)C3)C2)cc1.Cc1nn(C)cc1C1=Cc2c(ncnc2N2CCN(C(=O)N[C@@H](C)c3ccc(F)cc3)[C@H](C)C2)C1
InChIInChI=1S/C29H33N5O.C28H31N5O.C27H30ClN7O2.C26H30FN7O/c1-19-5-9-23(10-6-19)22(4)32-29(35)34-14-13-33(17-21(34)3)28-26-15-25(16-27(26)30-18-31-28)24-11-7-20(2)8-12-24;1-19-4-8-22(9-5-19)21(3)31-28(34)33-14-12-32(13-15-33)27-25-16-24(17-26(25)29-18-30-27)23-10-6-20(2)7-11-23;1-17(18-5-7-20(28)8-6-18)32-26(36)35-12-11-34(15-27(35,2)3)25-21-14-22(33-24(21)30-16-31-25)19-9-10-29-23(13-19)37-4;1-16-13-33(9-10-34(16)26(35)30-17(2)19-5-7-21(27)8-6-19)25-22-11-20(12-24(22)28-15-29-25)23-14-32(4)31-18(23)3/h5-12,15,18,21-22H,13-14,16-17H2,1-4H3,(H,32,35);4-11,16,18,21H,12-15,17H2,1-3H3,(H,31,34);5-10,13-14,16-17H,11-12,15H2,1-4H3,(H,32,36)(H,30,31,33);5-8,11,14-17H,9-10,12-13H2,1-4H3,(H,30,35)/t21-,22+;21-;17-;16-,17+/m1001/s1
InChIKeyFKBNYUWNUVIJLV-FQMOSWLZSA-N
XLogP18.74
TPSA301.17 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001916.82
LogP ≤ 518.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethyl-piperazine-1-carboxamide
CID 73389371
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethyl-piperazine-1-carboxamide
CID 89993926
(2R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide
CID 90114715
N-[[4-chloro-3-[2-fluoro-5-[4-[4-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]phenyl]methyl]-4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 137551582
N-[(1S)-1-[3-[4-[(3R)-4-[[(1S)-1-(4-chloro-3-methoxyphenyl)ethyl]carbamoyl]-3-methylpiperazin-1-yl]-6-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-fluorophenyl]ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide
CID 137551638
6-[4-[[3-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxymethyl]-4-methylpiperidin-2-yl]-4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 146333247
Bis(2-tert-butyl-7-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine);2-tert-butyl-7-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine;bis(2-tert-butyl-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine);2-tert-butyl-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 157681198
4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159038992
3-(6-chloropyrimidin-4-yl)-N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyrimidin-4-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyrimidin-4-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
CID 159289110
1-benzyl-2-tert-butyl-4-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-tert-butyl-6-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-(2,2-dimethylpropyl)pyrrolo[2,3-b]pyridine;1-benzyl-2-(2-methylpropyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1S)-1-phenylethyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1R)-1-phenylethyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(1-phenylethyl)pyrrolo[2,3-b]pyridine
CID 159601427
N-[1-(3-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide
CID 123874222
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-[6-(4-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-4-[6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;4-[6-(4-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide;(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxamide
CID 157097767

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide (CID 158056109) is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide is COc1cc(-c2cc3c(N4CCN(C(=O)N[C@@H](C)c5ccc(Cl)cc5)C(C)(C)C4)ncnc3[nH]2)ccn1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)N[C@@H](C)c4ccc(C)cc4)CC3)C2)cc1.Cc1ccc(C2=Cc3c(ncnc3N3CCN(C(=O)N[C@@H](C)c4ccc(C)cc4)[C@H](C)C3)C2)cc1.Cc1nn(C)cc1C1=Cc2c(ncnc2N2CCN(C(=O)N[C@@H](C)c3ccc(F)cc3)[C@H](C)C2)C1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is FKBNYUWNUVIJLV-FQMOSWLZSA-N. The full InChI is InChI=1S/C29H33N5O.C28H31N5O.C27H30ClN7O2.C26H30FN7O/c1-19-5-9-23(10-6-19)22(4)32-29(35)34-14-13-33(17-21(34)3)28-26-15-25(16-27(26)30-18-31-28)24-11-7-20(2)8-12-24;1-19-4-8-22(9-5-19)21(3)31-28(34)33-14-12-32(13-15-33)27-25-16-24(17-26(25)29-18-30-27)23-10-6-20(2)7-11-23;1-17(18-5-7-20(28)8-6-18)32-26(36)35-12-11-34(15-27(35,2)3)25-21-14-22(33-24(21)30-16-31-25)19-9-10-29-23(13-19)37-4;1-16-13-33(9-10-34(16)26(35)30-17(2)19-5-7-21(27)8-6-19)25-22-11-20(12-24(22)28-15-29-25)23-14-32(4)31-18(23)3/h5-12,15,18,21-22H,13-14,16-17H2,1-4H3,(H,32,35);4-11,16,18,21H,12-15,17H2,1-3H3,(H,31,34);5-10,13-14,16-17H,11-12,15H2,1-4H3,(H,32,36)(H,30,31,33);5-8,11,14-17H,9-10,12-13H2,1-4H3,(H,30,35)/t21-,22+;21-;17-;16-,17+/m1001/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 1916.82 g/mol, XLogP of 18.74, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,2-dimethylpiperazine-1-carboxamide;(2R)-4-[6-(1,3-dimethylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylpiperazine-1-carboxamide;(2R)-2-methyl-4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-[6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidin-4-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 158056109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).