5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H33N7O4 — CID 146569909

About 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146569909) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146569909
• Molecular Formula: C25H33N7O4
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.26
• IUPAC Name: 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn([C@H]3CCCC[C@H]3O)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@]3(C)OC)cnn12
• InChI: InChI=1S/C25H33N7O4/c1-25(36-3)11-10-19(25)29-23(34)15-14-27-32-21(26-2)13-20(30-22(15)32)28-16-7-6-12-31(24(16)35)17-8-4-5-9-18(17)33/h6-7,12-14,17-19,26,33H,4-5,8-11H2,1-3H3,(H,28,30)(H,29,34)/t17-,18+,19+,25+/m0/s1
• InChIKey: XLCVMLAPODHDQO-UFXZXOMWSA-N
• XLogP: 2.45
• TPSA: 134.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146569909) is 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCCC[C@H]3O)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@]3(C)OC)cnn12.

What is the InChIKey of 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is XLCVMLAPODHDQO-UFXZXOMWSA-N. The full InChI is InChI=1S/C25H33N7O4/c1-25(36-3)11-10-19(25)29-23(34)15-14-27-32-21(26-2)13-20(30-22(15)32)28-16-7-6-12-31(24(16)35)17-8-4-5-9-18(17)33/h6-7,12-14,17-19,26,33H,4-5,8-11H2,1-3H3,(H,28,30)(H,29,34)/t17-,18+,19+,25+/m0/s1.

What are the key properties of 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146569909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).