N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H31N7O4 — CID 137450161

About N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450161) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137450161
• Molecular Formula: C24H31N7O4
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.24
• IUPAC Name: N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@H]3CCC[C@]3(C)O)cnn12
• InChI: InChI=1S/C24H31N7O4/c1-24(34)9-3-6-18(24)28-22(32)16-14-26-31-20(25-2)13-19(29-21(16)31)27-17-5-4-10-30(23(17)33)15-7-11-35-12-8-15/h4-5,10,13-15,18,25,34H,3,6-9,11-12H2,1-2H3,(H,27,29)(H,28,32)/t18-,24-/m0/s1
• InChIKey: FJPYTVVVPCVKNX-UUOWRZLLSA-N
• XLogP: 2.06
• TPSA: 134.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450161) is N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)N[C@H]3CCC[C@]3(C)O)cnn12.

What is the InChIKey of N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is FJPYTVVVPCVKNX-UUOWRZLLSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-24(34)9-3-6-18(24)28-22(32)16-14-26-31-20(25-2)13-19(29-21(16)31)27-17-5-4-10-30(23(17)33)15-7-11-35-12-8-15/h4-5,10,13-15,18,25,34H,3,6-9,11-12H2,1-2H3,(H,27,29)(H,28,32)/t18-,24-/m0/s1.

What are the key properties of N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).