N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26N8O3 — CID 178156336

About N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 178156336) has the molecular formula C22H26N8O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 178156336
• Molecular Formula: C22H26N8O3
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.21
• IUPAC Name: N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(NC2CCN(c3ccccn3)C2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
• InChI: InChI=1S/C22H26N8O3/c1-23-19-11-17(26-15-8-10-29(22(15)32)18-5-3-4-9-24-18)28-20-13(12-25-30(19)20)21(31)27-14-6-7-16(14)33-2/h3-5,9,11-12,14-16,23H,6-8,10H2,1-2H3,(H,26,28)(H,27,31)/t14-,15?,16-/m1/s1
• InChIKey: QSBUKEHIFGNLRU-YTPLPTRZSA-N
• XLogP: 1.29
• TPSA: 125.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 178156336) is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(NC2CCN(c3ccccn3)C2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.

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

The InChIKey is QSBUKEHIFGNLRU-YTPLPTRZSA-N. The full InChI is InChI=1S/C22H26N8O3/c1-23-19-11-17(26-15-8-10-29(22(15)32)18-5-3-4-9-24-18)28-20-13(12-25-30(19)20)21(31)27-14-6-7-16(14)33-2/h3-5,9,11-12,14-16,23H,6-8,10H2,1-2H3,(H,26,28)(H,27,31)/t14-,15?,16-/m1/s1.

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

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyrrolidin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 178156336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).