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

C23H28N8O3 — CID 178156338

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

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 178156338) has the molecular formula C23H28N8O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 178156338
• Molecular Formula: C23H28N8O3
• Molecular Weight: 464.53 g/mol
• Exact Mass: 464.23
• IUPAC Name: N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(N[C@H]2CCCN(c3ccccn3)C2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
• InChI: InChI=1S/C23H28N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-4,7,10,12-13,15-17,24H,5-6,8-9,11H2,1-2H3,(H,27,29)(H,28,32)/t15-,16+,17-/m1/s1
• InChIKey: CFAMNEAZOVZZFF-IXDOHACOSA-N
• XLogP: 1.68
• TPSA: 125.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.53
LogP ≤ 5	1.68
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-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 178156338) is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(N[C@H]2CCCN(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-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is CFAMNEAZOVZZFF-IXDOHACOSA-N. The full InChI is InChI=1S/C23H28N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-4,7,10,12-13,15-17,24H,5-6,8-9,11H2,1-2H3,(H,27,29)(H,28,32)/t15-,16+,17-/m1/s1.

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

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 1.68, 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-[[(3S)-2-oxo-1-pyridin-2-ylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 178156338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).