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

C23H26N10S — CID 170725987

IUPACN-[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
SMILESCc1cc(Nc2cc3nc(-c4cnn5c4CNCC5)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C23H26N10S/c1-13-5-21(30-23(27-13)32-12-14-6-15(32)11-31(14)2)29-20-7-17-19(10-25-20)34-22(28-17)16-8-26-33-4-3-24-9-18(16)33/h5,7-8,10,14-15,24H,3-4,6,9,11-12H2,1-2H3,(H,25,27,29,30)/t14-,15-/m0/s1
InChIKeyUAZNTJRWUCWRPK-GJZGRUSLSA-N
MW474.60 g/mol
LogP2.39
Rot. Bonds4

About 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

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 (PubChem CID 170725987) has the molecular formula C23H26N10S and a molecular weight of 474.60 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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170725987
Molecular FormulaC23H26N10S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC NameN-[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
SMILESCc1cc(Nc2cc3nc(-c4cnn5c4CNCC5)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C23H26N10S/c1-13-5-21(30-23(27-13)32-12-14-6-15(32)11-31(14)2)29-20-7-17-19(10-25-20)34-22(28-17)16-8-26-33-4-3-24-9-18(16)33/h5,7-8,10,14-15,24H,3-4,6,9,11-12H2,1-2H3,(H,25,27,29,30)/t14-,15-/m0/s1
InChIKeyUAZNTJRWUCWRPK-GJZGRUSLSA-N
XLogP2.39
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170725987) is 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.
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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-[1,3]thiazolo[5,4-c]pyridin-6-amine is Cc1cc(Nc2cc3nc(-c4cnn5c4CNCC5)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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is UAZNTJRWUCWRPK-GJZGRUSLSA-N. The full InChI is InChI=1S/C23H26N10S/c1-13-5-21(30-23(27-13)32-12-14-6-15(32)11-31(14)2)29-20-7-17-19(10-25-20)34-22(28-17)16-8-26-33-4-3-24-9-18(16)33/h5,7-8,10,14-15,24H,3-4,6,9,11-12H2,1-2H3,(H,25,27,29,30)/t14-,15-/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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 474.60 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 11 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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170725987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).