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

C23H27N9OS — CID 170726251

About 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

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 (PubChem CID 170726251) has the molecular formula C23H27N9OS and a molecular weight of 477.60 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 170726251
• Molecular Formula: C23H27N9OS
• Molecular Weight: 477.60 g/mol
• Exact Mass: 477.21
• IUPAC Name: 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
• SMILES: COCCn1cc(-c2nc3cc(Nc4cc(C)nc(N5C[C@@H]6C[C@H]5CN6C)n4)ncc3s2)cn1
• InChI: InChI=1S/C23H27N9OS/c1-14-6-21(29-23(26-14)32-13-16-7-17(32)12-30(16)2)28-20-8-18-19(10-24-20)34-22(27-18)15-9-25-31(11-15)4-5-33-3/h6,8-11,16-17H,4-5,7,12-13H2,1-3H3,(H,24,26,28,29)/t16-,17-/m0/s1
• InChIKey: XBEAMPNHVVBXRP-IRXDYDNUSA-N
• XLogP: 2.94
• TPSA: 97.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.60
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COCCn1cc(-c2nc3cc(Nc4cc(C)nc(N5C[C@@H]6C[C@H]5CN6C)n4)ncc3s2)cn1.

What is the InChIKey of 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?

The InChIKey is XBEAMPNHVVBXRP-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H27N9OS/c1-14-6-21(29-23(26-14)32-13-16-7-17(32)12-30(16)2)28-20-8-18-19(10-24-20)34-22(27-18)15-9-25-31(11-15)4-5-33-3/h6,8-11,16-17H,4-5,7,12-13H2,1-3H3,(H,24,26,28,29)/t16-,17-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 477.60 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 170726251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).