[3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol

C29H29F3N8OS — CID 90854407

IUPAC[3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCc1nc(NC(c2ccc(-n3cccn3)cc2)C(F)(F)F)nc(NC2CCC(CO)C2)c1-c1nc2c(C)nccc2s1
InChIInChI=1S/C29H29F3N8OS/c1-16-23(27-37-24-17(2)33-12-10-22(24)42-27)26(36-20-7-4-18(14-20)15-41)39-28(35-16)38-25(29(30,31)32)19-5-8-21(9-6-19)40-13-3-11-34-40/h3,5-6,8-13,18,20,25,41H,4,7,14-15H2,1-2H3,(H2,35,36,38,39)
InChIKeyBMOYJHVOYLMUQN-UHFFFAOYSA-N
MW594.67 g/mol
LogP6.24
Rot. Bonds8

About [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol

[3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 90854407) has the molecular formula C29H29F3N8OS and a molecular weight of 594.67 g/mol. Its IUPAC name is [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID90854407
Molecular FormulaC29H29F3N8OS
Molecular Weight594.67 g/mol
Exact Mass594.21
IUPAC Name[3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCc1nc(NC(c2ccc(-n3cccn3)cc2)C(F)(F)F)nc(NC2CCC(CO)C2)c1-c1nc2c(C)nccc2s1
InChIInChI=1S/C29H29F3N8OS/c1-16-23(27-37-24-17(2)33-12-10-22(24)42-27)26(36-20-7-4-18(14-20)15-41)39-28(35-16)38-25(29(30,31)32)19-5-8-21(9-6-19)40-13-3-11-34-40/h3,5-6,8-13,18,20,25,41H,4,7,14-15H2,1-2H3,(H2,35,36,38,39)
InChIKeyBMOYJHVOYLMUQN-UHFFFAOYSA-N
XLogP6.24
TPSA113.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.67
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,3R,5R)-3-[[2-[(2,6-difluorophenyl)methylamino]-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570762
(1R,2S,3R,5R)-3-[[2-(benzylamino)-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570280
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-[[(1R)-1-phenylethyl]amino]-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 58570607
(1R,2S,3R,5R)-3-[[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570861
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-[[(1S)-1-phenylethyl]amino]-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 58570964
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-2-[[(1R)-1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 70684682
WO2023001061, Example 38
CID 166594752
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 58570520
4-[[2-[(1-Pyrimidin-5-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128170
4-[[2-[(1-Pyrimidin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128174
4-[[2-[[1-(5-Methyl-3-pyridinyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128175
4-[[2-[(1-Pyridin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128232

Frequently Asked Questions

What is the IUPAC name of [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 90854407) is [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol is Cc1nc(NC(c2ccc(-n3cccn3)cc2)C(F)(F)F)nc(NC2CCC(CO)C2)c1-c1nc2c(C)nccc2s1.
What is the InChIKey of [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is BMOYJHVOYLMUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N8OS/c1-16-23(27-37-24-17(2)33-12-10-22(24)42-27)26(36-20-7-4-18(14-20)15-41)39-28(35-16)38-25(29(30,31)32)19-5-8-21(9-6-19)40-13-3-11-34-40/h3,5-6,8-13,18,20,25,41H,4,7,14-15H2,1-2H3,(H2,35,36,38,39).
What are the key properties of [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol?
[3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 594.67 g/mol, XLogP of 6.24, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 90854407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).