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

C24H23N9S — CID 170726122

IUPACN-[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
SMILESCc1cc(Nc2cc3nc(-c4ccn5nccc5c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C24H23N9S/c1-14-7-22(30-24(27-14)32-13-17-9-18(32)12-31(17)2)29-21-10-19-20(11-25-21)34-23(28-19)15-4-6-33-16(8-15)3-5-26-33/h3-8,10-11,17-18H,9,12-13H2,1-2H3,(H,25,27,29,30)/t17-,18-/m0/s1
InChIKeyASFSPWRAGYZRMC-ROUUACIJSA-N
MW469.58 g/mol
LogP3.74
Rot. Bonds4

About 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

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 (PubChem CID 170726122) has the molecular formula C24H23N9S and a molecular weight of 469.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170726122
Molecular FormulaC24H23N9S
Molecular Weight469.58 g/mol
Exact Mass469.18
IUPAC NameN-[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
SMILESCc1cc(Nc2cc3nc(-c4ccn5nccc5c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C24H23N9S/c1-14-7-22(30-24(27-14)32-13-17-9-18(32)12-31(17)2)29-21-10-19-20(11-25-21)34-23(28-19)15-4-6-33-16(8-15)3-5-26-33/h3-8,10-11,17-18H,9,12-13H2,1-2H3,(H,25,27,29,30)/t17-,18-/m0/s1
InChIKeyASFSPWRAGYZRMC-ROUUACIJSA-N
XLogP3.74
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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-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-[(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2cc3nc(-c4ccn5nccc5c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1.
What is the InChIKey of 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?
The InChIKey is ASFSPWRAGYZRMC-ROUUACIJSA-N. The full InChI is InChI=1S/C24H23N9S/c1-14-7-22(30-24(27-14)32-13-17-9-18(32)12-31(17)2)29-21-10-19-20(11-25-21)34-23(28-19)15-4-6-33-16(8-15)3-5-26-33/h3-8,10-11,17-18H,9,12-13H2,1-2H3,(H,25,27,29,30)/t17-,18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 469.58 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170726122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).