N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29N7O3 — CID 146484562

About N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146484562) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146484562
• Molecular Formula: C23H29N7O3
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.23
• IUPAC Name: N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn([C@@H]3CCC[C@](C)(O)C3)c2=O)nc2c(C(=O)NC3CC3)cnn12
• InChI: InChI=1S/C23H29N7O3/c1-23(33)9-3-5-15(12-23)29-10-4-6-17(22(29)32)27-18-11-19(24-2)30-20(28-18)16(13-25-30)21(31)26-14-7-8-14/h4,6,10-11,13-15,24,33H,3,5,7-9,12H2,1-2H3,(H,26,31)(H,27,28)/t15-,23+/m1/s1
• InChIKey: QGTQQQVYKKNPAX-CMJOXMDJSA-N
• XLogP: 2.43
• TPSA: 125.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146484562) is N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CCC[C@](C)(O)C3)c2=O)nc2c(C(=O)NC3CC3)cnn12.

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

The InChIKey is QGTQQQVYKKNPAX-CMJOXMDJSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-23(33)9-3-5-15(12-23)29-10-4-6-17(22(29)32)27-18-11-19(24-2)30-20(28-18)16(13-25-30)21(31)26-14-7-8-14/h4,6,10-11,13-15,24,33H,3,5,7-9,12H2,1-2H3,(H,26,31)(H,27,28)/t15-,23+/m1/s1.

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

N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.43, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146484562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).