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

C22H24N8O4 — CID 146560289

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

N-[(3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560289) has the molecular formula C22H24N8O4 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[(3R)-3-methoxycyclopentyl]-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-[(3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560289
• Molecular Formula: C22H24N8O4
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.19
• IUPAC Name: N-[(3R)-3-methoxycyclopentyl]-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)NC3CC[C@@H](OC)C3)cnn12
• InChI: InChI=1S/C22H24N8O4/c1-23-18-11-17(27-16-4-3-8-29(21(16)32)22-24-7-9-34-22)28-19-15(12-25-30(18)19)20(31)26-13-5-6-14(10-13)33-2/h3-4,7-9,11-14,23H,5-6,10H2,1-2H3,(H,26,31)(H,27,28)/t13?,14-/m1/s1
• InChIKey: CKPAMIJRMIHSJX-ARLHGKGLSA-N
• XLogP: 1.95
• TPSA: 140.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methoxycyclopentyl]-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-[(3R)-3-methoxycyclopentyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560289) is N-[(3R)-3-methoxycyclopentyl]-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-[(3R)-3-methoxycyclopentyl]-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-[(3R)-3-methoxycyclopentyl]-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)NC3CC[C@@H](OC)C3)cnn12.

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

The InChIKey is CKPAMIJRMIHSJX-ARLHGKGLSA-N. The full InChI is InChI=1S/C22H24N8O4/c1-23-18-11-17(27-16-4-3-8-29(21(16)32)22-24-7-9-34-22)28-19-15(12-25-30(18)19)20(31)26-13-5-6-14(10-13)33-2/h3-4,7-9,11-14,23H,5-6,10H2,1-2H3,(H,26,31)(H,27,28)/t13?,14-/m1/s1.

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

N-[(3R)-3-methoxycyclopentyl]-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 464.49 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-methoxycyclopentyl]-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 146560289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).