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

C27H28N8O — CID 53328447

IUPACN-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)nn1C1CCCCC1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=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)
InChIKeyBDFQVHSAIBGOGJ-UHFFFAOYSA-N
MW480.58 g/mol
LogP5.51
Rot. Bonds7

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 NameN-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328447
Molecular FormulaC27H28N8O
Molecular Weight480.58 g/mol
Exact Mass480.24
IUPAC NameN-(1-cyclohexyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)nn1C1CCCCC1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=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)
InChIKeyBDFQVHSAIBGOGJ-UHFFFAOYSA-N
XLogP5.51
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.58
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).