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

C88H94ClF8N21O3Sn — CID 159289110

IUPAC3-(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
SMILESCOc1ccc(Cn2nc(-c3cc(Cl)ncn3)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.COc1ccc(Cn2nc(-c3ccncn3)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.COc1ccc(Cn2nc([Sn](C)(C)C)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.FC1(F)CCC(Nc2nccc3c2C(c2ccncn2)=NC3)CC1
InChIInChI=1S/C24H23ClF2N6O.C24H24F2N6O.C20H21F2N4O.C17H17F2N5.3CH3.Sn/c1-34-17-4-2-15(3-5-17)13-33-19-8-11-28-23(31-16-6-9-24(26,27)10-7-16)21(19)22(32-33)18-12-20(25)30-14-29-18;1-33-18-4-2-16(3-5-18)14-32-20-9-13-28-23(30-17-6-10-24(25,26)11-7-17)21(20)22(31-32)19-8-12-27-15-29-19;1-27-16-4-2-14(3-5-16)13-26-18-8-11-23-19(17(18)12-24-26)25-15-6-9-20(21,22)10-7-15;18-17(19)5-1-12(2-6-17)24-16-14-11(3-8-21-16)9-22-15(14)13-4-7-20-10-23-13;;;;/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,28,31);2-5,8-9,12-13,15,17H,6-7,10-11,14H2,1H3,(H,28,30);2-5,8,11,15H,6-7,9-10,13H2,1H3,(H,23,25);3-4,7-8,10,12H,1-2,5-6,9H2,(H,21,24);3*1H3;
InChIKeyKZWPXHBSRVPGJV-UHFFFAOYSA-N
MW1800.01 g/mol
LogP18.76
Rot. Bonds21

About 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

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 (PubChem CID 159289110) has the molecular formula C88H94ClF8N21O3Sn and a molecular weight of 1800.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID159289110
Molecular FormulaC88H94ClF8N21O3Sn
Molecular Weight1800.01 g/mol
Exact Mass1799.64
IUPAC Name3-(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
SMILESCOc1ccc(Cn2nc(-c3cc(Cl)ncn3)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.COc1ccc(Cn2nc(-c3ccncn3)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.COc1ccc(Cn2nc([Sn](C)(C)C)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.FC1(F)CCC(Nc2nccc3c2C(c2ccncn2)=NC3)CC1
InChIInChI=1S/C24H23ClF2N6O.C24H24F2N6O.C20H21F2N4O.C17H17F2N5.3CH3.Sn/c1-34-17-4-2-15(3-5-17)13-33-19-8-11-28-23(31-16-6-9-24(26,27)10-7-16)21(19)22(32-33)18-12-20(25)30-14-29-18;1-33-18-4-2-16(3-5-18)14-32-20-9-13-28-23(30-17-6-10-24(25,26)11-7-17)21(20)22(31-32)19-8-12-27-15-29-19;1-27-16-4-2-14(3-5-16)13-26-18-8-11-23-19(17(18)12-24-26)25-15-6-9-20(21,22)10-7-15;18-17(19)5-1-12(2-6-17)24-16-14-11(3-8-21-16)9-22-15(14)13-4-7-20-10-23-13;;;;/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,28,31);2-5,8-9,12-13,15,17H,6-7,10-11,14H2,1H3,(H,28,30);2-5,8,11,15H,6-7,9-10,13H2,1H3,(H,23,25);3-4,7-8,10,12H,1-2,5-6,9H2,(H,21,24);3*1H3;
InChIKeyKZWPXHBSRVPGJV-UHFFFAOYSA-N
XLogP18.76
TPSA270.53 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001800.01
LogP ≤ 518.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

2-(4-Tert-butylphenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine;2-(4-chlorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 88206385
1-(4-methoxybenzyl)-N-(tetrahydro-2H-pyran-4-yl)-3-(6-(trifluoromethyl)pyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 89811151
N-(4,4-difluorocyclohexyl)-1-(4-methoxybenzyl)-3-(pyridin-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 89811517
N-isopropyl-1-(4-methoxybenzyl)-3-(6-(trifluoromethyl)pyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 89811677
3-(6-chloropyrimidin-4-yl)-N-(4,4-difluorocyclohexyl)-1-(4-methoxybenzyl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 89811743
N-(4,4-difluorocyclohexyl)-1-(4-methoxybenzyl)-3-(pyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 89811756
5-fluoro-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-amine
CID 118140517
2-[4-[[3-[4-[(3-Chloropyridin-4-yl)amino]-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidin-2-yl]indazol-1-yl]methyl]-3,5-difluorophenoxy]ethanol
CID 118962532
N-(3-chloro-4-pyridinyl)-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-(morpholin-4-ylmethyl)pyrimidin-4-amine
CID 118962566
2-[4-[[3-[4-[(3-Chloropyridin-4-yl)amino]-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidin-2-yl]indazol-1-yl]methyl]-3,5-difluorophenoxy]ethanol
CID 118962671
5-(2-aminoethyl)-N-(3-chloro-4-pyridinyl)-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-amine
CID 118962677
N-(3-chloro-4-pyridinyl)-2-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]-5-piperidin-4-ylpyrimidin-4-amine
CID 118962738

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(Cn2nc(-c3cc(Cl)ncn3)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.COc1ccc(Cn2nc(-c3ccncn3)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.COc1ccc(Cn2nc([Sn](C)(C)C)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.FC1(F)CCC(Nc2nccc3c2C(c2ccncn2)=NC3)CC1.
What is the InChIKey of 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?
The InChIKey is KZWPXHBSRVPGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N6O.C24H24F2N6O.C20H21F2N4O.C17H17F2N5.3CH3.Sn/c1-34-17-4-2-15(3-5-17)13-33-19-8-11-28-23(31-16-6-9-24(26,27)10-7-16)21(19)22(32-33)18-12-20(25)30-14-29-18;1-33-18-4-2-16(3-5-18)14-32-20-9-13-28-23(30-17-6-10-24(25,26)11-7-17)21(20)22(31-32)19-8-12-27-15-29-19;1-27-16-4-2-14(3-5-16)13-26-18-8-11-23-19(17(18)12-24-26)25-15-6-9-20(21,22)10-7-15;18-17(19)5-1-12(2-6-17)24-16-14-11(3-8-21-16)9-22-15(14)13-4-7-20-10-23-13;;;;/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,28,31);2-5,8-9,12-13,15,17H,6-7,10-11,14H2,1H3,(H,28,30);2-5,8,11,15H,6-7,9-10,13H2,1H3,(H,23,25);3-4,7-8,10,12H,1-2,5-6,9H2,(H,21,24);3*1H3;.
What are the key properties of 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?
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 has a molecular weight of 1800.01 g/mol, XLogP of 18.76, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159289110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).