N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C23H21ClN8O2 — CID 53328816

About N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328816) has the molecular formula C23H21ClN8O2 and a molecular weight of 476.93 g/mol. Its IUPAC name is N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• PubChem CID: 53328816
• Molecular Formula: C23H21ClN8O2
• Molecular Weight: 476.93 g/mol
• Exact Mass: 476.15
• IUPAC Name: N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• SMILES: O=C(Nc1cc(-c2cccc(Cl)n2)nn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1
• InChI: InChI=1S/C23H21ClN8O2/c24-20-3-1-2-17(28-20)19-10-21(32(31-19)8-9-33)30-23(34)22-18(27-15-11-25-13-26-12-15)7-6-16(29-22)14-4-5-14/h1-3,6-7,10-14,27,33H,4-5,8-9H2,(H,30,34)
• InChIKey: WOENFQWOKAQAOG-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 130.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.93
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The IUPAC name of N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328816) is N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

What is the SMILES notation for N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The canonical SMILES for N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cc(-c2cccc(Cl)n2)nn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1.

What is the InChIKey of N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The InChIKey is WOENFQWOKAQAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN8O2/c24-20-3-1-2-17(28-20)19-10-21(32(31-19)8-9-33)30-23(34)22-18(27-15-11-25-13-26-12-15)7-6-16(29-22)14-4-5-14/h1-3,6-7,10-14,27,33H,4-5,8-9H2,(H,30,34).

What are the key properties of N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 476.93 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).