2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol

C28H33N7OS — CID 170725622

IUPAC2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol
SMILESCc1cc(Nc2cc3nc(-c4c(C)ccc(C(C)(C)O)c4C)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C28H33N7OS/c1-15-7-8-20(28(4,5)36)17(3)25(15)26-31-21-11-23(29-12-22(21)37-26)32-24-9-16(2)30-27(33-24)35-14-18-10-19(35)13-34(18)6/h7-9,11-12,18-19,36H,10,13-14H2,1-6H3,(H,29,30,32,33)/t18-,19-/m0/s1
InChIKeyJEVLDUVXIABJPU-OALUTQOASA-N
MW515.69 g/mol
LogP4.94
Rot. Bonds5

About 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol

2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol (PubChem CID 170725622) has the molecular formula C28H33N7OS and a molecular weight of 515.69 g/mol. Its IUPAC name is 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol
PubChem CID170725622
Molecular FormulaC28H33N7OS
Molecular Weight515.69 g/mol
Exact Mass515.25
IUPAC Name2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol
SMILESCc1cc(Nc2cc3nc(-c4c(C)ccc(C(C)(C)O)c4C)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C28H33N7OS/c1-15-7-8-20(28(4,5)36)17(3)25(15)26-31-21-11-23(29-12-22(21)37-26)32-24-9-16(2)30-27(33-24)35-14-18-10-19(35)13-34(18)6/h7-9,11-12,18-19,36H,10,13-14H2,1-6H3,(H,29,30,32,33)/t18-,19-/m0/s1
InChIKeyJEVLDUVXIABJPU-OALUTQOASA-N
XLogP4.94
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.69
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol with MolForge

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Related Compounds

N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-pyrazolo[1,5-a]pyridin-5-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726122
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726251
2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725322
N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725987
N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 171430549
N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725528
N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726179
2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol
CID 170726252
N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725296
N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725678
2-[(1S,4S)-5-[4-[[2-[2-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]-6-methylpyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 171430533
2-[3-(cyclopropyloxymethyl)phenyl]-N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725457

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol (CID 170725622) is 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol is Cc1cc(Nc2cc3nc(-c4c(C)ccc(C(C)(C)O)c4C)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1.
What is the InChIKey of 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol?
The InChIKey is JEVLDUVXIABJPU-OALUTQOASA-N. The full InChI is InChI=1S/C28H33N7OS/c1-15-7-8-20(28(4,5)36)17(3)25(15)26-31-21-11-23(29-12-22(21)37-26)32-24-9-16(2)30-27(33-24)35-14-18-10-19(35)13-34(18)6/h7-9,11-12,18-19,36H,10,13-14H2,1-6H3,(H,29,30,32,33)/t18-,19-/m0/s1.
What are the key properties of 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol?
2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol has a molecular weight of 515.69 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 170725622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).