N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol

C124H126F10N26O8 — CID 159870124

IUPACN-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESC/C=C/C1=CC(Nc2cc(N(C)C)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCC(CO)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(CCO)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCNC(=O)C3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(F)c(Oc3nc(C)cc(NC4=NCC(C5CC5)=C4)n3)cc(F)c2C1
InChIInChI=1S/C27H30F2N6O2.C27H29F2N5O2.C25H24F2N6O2.C23H23F2N5O.C22H20F2N4O/c1-3-4-18-13-23(30-16-18)31-24-15-25(35-7-5-34(6-8-35)9-10-36)33-27(32-24)37-22-14-21(28)19-11-17(2)12-20(19)26(22)29;1-3-4-18-11-23(30-14-18)31-24-13-25(34-7-5-17(15-35)6-8-34)33-27(32-24)36-22-12-21(28)19-9-16(2)10-20(19)26(22)29;1-3-4-15-9-20(29-12-15)30-21-11-22(33-6-5-28-23(34)13-33)32-25(31-21)35-19-10-18(26)16-7-14(2)8-17(16)24(19)27;1-5-6-14-9-19(26-12-14)27-20-11-21(30(3)4)29-23(28-20)31-18-10-17(24)15-7-13(2)8-16(15)22(18)25;1-11-5-15-16(6-11)21(24)18(9-17(15)23)29-22-26-12(2)7-20(28-22)27-19-8-14(10-25-19)13-3-4-13/h3-4,12-15,36H,5-11,16H2,1-2H3,(H,30,31,32,33);3-4,10-13,17,35H,5-9,14-15H2,1-2H3,(H,30,31,32,33);3-4,8-11H,5-7,12-13H2,1-2H3,(H,28,34)(H,29,30,31,32);5-6,8-11H,7,12H2,1-4H3,(H,26,27,28,29);6-9,13H,3-5,10H2,1-2H3,(H,25,26,27,28)/b3*4-3+;6-5+;
InChIKeyNSFVRYZHXFAAIK-OUWUDGCRSA-N
MW2298.53 g/mol
LogP22.63
Rot. Bonds27

About N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol

N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 159870124) has the molecular formula C124H126F10N26O8 and a molecular weight of 2298.53 g/mol. Its IUPAC name is N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound NameN-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID159870124
Molecular FormulaC124H126F10N26O8
Molecular Weight2298.53 g/mol
Exact Mass2297.01
IUPAC NameN-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESC/C=C/C1=CC(Nc2cc(N(C)C)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCC(CO)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(CCO)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCNC(=O)C3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(F)c(Oc3nc(C)cc(NC4=NCC(C5CC5)=C4)n3)cc(F)c2C1
InChIInChI=1S/C27H30F2N6O2.C27H29F2N5O2.C25H24F2N6O2.C23H23F2N5O.C22H20F2N4O/c1-3-4-18-13-23(30-16-18)31-24-15-25(35-7-5-34(6-8-35)9-10-36)33-27(32-24)37-22-14-21(28)19-11-17(2)12-20(19)26(22)29;1-3-4-18-11-23(30-14-18)31-24-13-25(34-7-5-17(15-35)6-8-34)33-27(32-24)36-22-12-21(28)19-9-16(2)10-20(19)26(22)29;1-3-4-15-9-20(29-12-15)30-21-11-22(33-6-5-28-23(34)13-33)32-25(31-21)35-19-10-18(26)16-7-14(2)8-17(16)24(19)27;1-5-6-14-9-19(26-12-14)27-20-11-21(30(3)4)29-23(28-20)31-18-10-17(24)15-7-13(2)8-16(15)22(18)25;1-11-5-15-16(6-11)21(24)18(9-17(15)23)29-22-26-12(2)7-20(28-22)27-19-8-14(10-25-19)13-3-4-13/h3-4,12-15,36H,5-11,16H2,1-2H3,(H,30,31,32,33);3-4,10-13,17,35H,5-9,14-15H2,1-2H3,(H,30,31,32,33);3-4,8-11H,5-7,12-13H2,1-2H3,(H,28,34)(H,29,30,31,32);5-6,8-11H,7,12H2,1-4H3,(H,26,27,28,29);6-9,13H,3-5,10H2,1-2H3,(H,25,26,27,28)/b3*4-3+;6-5+;
InChIKeyNSFVRYZHXFAAIK-OUWUDGCRSA-N
XLogP22.63
TPSA382.76 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002298.53
LogP ≤ 522.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol with MolForge

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Related Compounds

2-[4-[2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-(3-methyl-2H-pyrrol-5-yl)pyrimidine-4,6-diamine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-ethylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[(3-methyl-2H-pyrrol-5-yl)amino]pyrimidin-4-yl]piperidin-4-yl]methanol;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]acetamide
CID 158541974
4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[(3-methyl-2H-pyrrol-5-yl)amino]pyrimidin-4-yl]piperazin-2-one
CID 160959042
N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 157329954
N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine
CID 158350905
2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 159554030
2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 146806385
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-methyl-2H-pyrrol-5-yl)-6-thiomorpholin-4-ylpyrimidin-4-amine;2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-propan-2-ylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 158091878
1-[2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 158771841
2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 157341776
2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(3-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)pyrimidin-4-amine
CID 157361018
2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4-chloro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-(4,6-difluoro-1-methylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-(4,6-difluoro-1,2-dimethylindol-5-yl)oxy-6-(4-methylpiperazin-1-yl)-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-piperazin-1-yl-N-[3-[(Z)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 158990421
2-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-phenylpiperazin-1-yl)-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 157184546

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol (CID 159870124) is N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol is C/C=C/C1=CC(Nc2cc(N(C)C)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCC(CO)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCN(CCO)CC3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.C/C=C/C1=CC(Nc2cc(N3CCNC(=O)C3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)=NC1.CC1=Cc2c(F)c(Oc3nc(C)cc(NC4=NCC(C5CC5)=C4)n3)cc(F)c2C1.
What is the InChIKey of N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is NSFVRYZHXFAAIK-OUWUDGCRSA-N. The full InChI is InChI=1S/C27H30F2N6O2.C27H29F2N5O2.C25H24F2N6O2.C23H23F2N5O.C22H20F2N4O/c1-3-4-18-13-23(30-16-18)31-24-15-25(35-7-5-34(6-8-35)9-10-36)33-27(32-24)37-22-14-21(28)19-11-17(2)12-20(19)26(22)29;1-3-4-18-11-23(30-14-18)31-24-13-25(34-7-5-17(15-35)6-8-34)33-27(32-24)36-22-12-21(28)19-9-16(2)10-20(19)26(22)29;1-3-4-15-9-20(29-12-15)30-21-11-22(33-6-5-28-23(34)13-33)32-25(31-21)35-19-10-18(26)16-7-14(2)8-17(16)24(19)27;1-5-6-14-9-19(26-12-14)27-20-11-21(30(3)4)29-23(28-20)31-18-10-17(24)15-7-13(2)8-16(15)22(18)25;1-11-5-15-16(6-11)21(24)18(9-17(15)23)29-22-26-12(2)7-20(28-22)27-19-8-14(10-25-19)13-3-4-13/h3-4,12-15,36H,5-11,16H2,1-2H3,(H,30,31,32,33);3-4,10-13,17,35H,5-9,14-15H2,1-2H3,(H,30,31,32,33);3-4,8-11H,5-7,12-13H2,1-2H3,(H,28,34)(H,29,30,31,32);5-6,8-11H,7,12H2,1-4H3,(H,26,27,28,29);6-9,13H,3-5,10H2,1-2H3,(H,25,26,27,28)/b3*4-3+;6-5+;.
What are the key properties of N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol?
N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 2298.53 g/mol, XLogP of 22.63, 27 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-methylpyrimidin-4-amine;2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-4-N,4-N-dimethyl-6-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]pyrimidine-4,6-diamine;4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-2-one;2-[4-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;[1-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 159870124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).