N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C27H28N8O — CID 53328447

About N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328447) has the molecular formula C27H28N8O and a molecular weight of 480.58 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• PubChem CID: 53328447
• Molecular Formula: C27H28N8O
• Molecular Weight: 480.58 g/mol
• Exact Mass: 480.24
• IUPAC Name: N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• SMILES: O=C(Nc1cc(-c2ccccn2)nn1C1CCCCC1)c1nc(C2CC2)ccc1Nc1cncnc1
• InChI: InChI=1S/C27H28N8O/c36-27(26-23(31-19-15-28-17-29-16-19)12-11-21(32-26)18-9-10-18)33-25-14-24(22-8-4-5-13-30-22)34-35(25)20-6-2-1-3-7-20/h4-5,8,11-18,20,31H,1-3,6-7,9-10H2,(H,33,36)
• InChIKey: BDFQVHSAIBGOGJ-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.58
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The IUPAC name of N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328447) is N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

What is the SMILES notation for N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The canonical SMILES for N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cc(-c2ccccn2)nn1C1CCCCC1)c1nc(C2CC2)ccc1Nc1cncnc1.

What is the InChIKey of N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The InChIKey is BDFQVHSAIBGOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O/c36-27(26-23(31-19-15-28-17-29-16-19)12-11-21(32-26)18-9-10-18)33-25-14-24(22-8-4-5-13-30-22)34-35(25)20-6-2-1-3-7-20/h4-5,8,11-18,20,31H,1-3,6-7,9-10H2,(H,33,36).

What are the key properties of N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 480.58 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).