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

C24H23N7O2 — CID 53328252

IUPAC6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H23N7O2/c32-11-10-31-22(12-21(30-31)16-4-2-1-3-5-16)29-24(33)23-20(27-18-13-25-15-26-14-18)9-8-19(28-23)17-6-7-17/h1-5,8-9,12-15,17,27,32H,6-7,10-11H2,(H,29,33)
InChIKeyGPSZQLBOJJYDJA-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.60
Rot. Bonds8

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

6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328252) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328252
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H23N7O2/c32-11-10-31-22(12-21(30-31)16-4-2-1-3-5-16)29-24(33)23-20(27-18-13-25-15-26-14-18)9-8-19(28-23)17-6-7-17/h1-5,8-9,12-15,17,27,32H,6-7,10-11H2,(H,29,33)
InChIKeyGPSZQLBOJJYDJA-UHFFFAOYSA-N
XLogP3.60
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328252) is 6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cc(-c2ccccc2)nn1CCO)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is GPSZQLBOJJYDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c32-11-10-31-22(12-21(30-31)16-4-2-1-3-5-16)29-24(33)23-20(27-18-13-25-15-26-14-18)9-8-19(28-23)17-6-7-17/h1-5,8-9,12-15,17,27,32H,6-7,10-11H2,(H,29,33).
What are the key properties of 6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).