N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H26N8O4 — CID 146572535

About N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146572535) has the molecular formula C23H26N8O4 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146572535
• Molecular Formula: C23H26N8O4
• Molecular Weight: 478.51 g/mol
• Exact Mass: 478.21
• IUPAC Name: N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3ncco3)c2=O)nc2c(C(=O)N[C@H]3CCC[C@H](OC)C3)cnn12
• InChI: InChI=1S/C23H26N8O4/c1-24-19-12-18(28-17-7-4-9-30(22(17)33)23-25-8-10-35-23)29-20-16(13-26-31(19)20)21(32)27-14-5-3-6-15(11-14)34-2/h4,7-10,12-15,24H,3,5-6,11H2,1-2H3,(H,27,32)(H,28,29)/t14-,15-/m0/s1
• InChIKey: NGRQMOXUPNMWDE-GJZGRUSLSA-N
• XLogP: 2.34
• TPSA: 140.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.51
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146572535) is N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ncco3)c2=O)nc2c(C(=O)N[C@H]3CCC[C@H](OC)C3)cnn12.

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

The InChIKey is NGRQMOXUPNMWDE-GJZGRUSLSA-N. The full InChI is InChI=1S/C23H26N8O4/c1-24-19-12-18(28-17-7-4-9-30(22(17)33)23-25-8-10-35-23)29-20-16(13-26-31(19)20)21(32)27-14-5-3-6-15(11-14)34-2/h4,7-10,12-15,24H,3,5-6,11H2,1-2H3,(H,27,32)(H,28,29)/t14-,15-/m0/s1.

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

N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 478.51 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,3S)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146572535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).