N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H27N9O3 — CID 137449377

About N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449377) has the molecular formula C24H27N9O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449377
• Molecular Formula: C24H27N9O3
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.22
• IUPAC Name: N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3cnn(CC4CCOC4)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12
• InChI: InChI=1S/C24H27N9O3/c1-25-21-9-20(30-22-18(11-27-33(21)22)23(34)28-16-4-5-16)29-19-3-2-7-32(24(19)35)17-10-26-31(13-17)12-15-6-8-36-14-15/h2-3,7,9-11,13,15-16,25H,4-6,8,12,14H2,1H3,(H,28,34)(H,29,30)
• InChIKey: RDYPIOFTDYUGOG-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 132.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449377) is N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cnn(CC4CCOC4)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12.

What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is RDYPIOFTDYUGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O3/c1-25-21-9-20(30-22-18(11-27-33(21)22)23(34)28-16-4-5-16)29-19-3-2-7-32(24(19)35)17-10-26-31(13-17)12-15-6-8-36-14-15/h2-3,7,9-11,13,15-16,25H,4-6,8,12,14H2,1H3,(H,28,34)(H,29,30).

What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).