N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24N6O2 — CID 137443767

About N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137443767) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137443767
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cccc([C@@H]3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12
• InChI: InChI=1S/C21H24N6O2/c1-22-19-11-17(15-5-4-6-16(25-15)18-7-2-3-10-29-18)26-20-14(12-23-27(19)20)21(28)24-13-8-9-13/h4-6,11-13,18,22H,2-3,7-10H2,1H3,(H,24,28)/t18-/m0/s1
• InChIKey: PHCBNHYYCGLUGS-SFHVURJKSA-N
• XLogP: 2.97
• TPSA: 93.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137443767) is N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cccc([C@@H]3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.

What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PHCBNHYYCGLUGS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-22-19-11-17(15-5-4-6-16(25-15)18-7-2-3-10-29-18)26-20-14(12-23-27(19)20)21(28)24-13-8-9-13/h4-6,11-13,18,22H,2-3,7-10H2,1H3,(H,24,28)/t18-/m0/s1.

What are the key properties of N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-7-(methylamino)-5-[6-[(2S)-oxan-2-yl]-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137443767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).