6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C23H19F3N8O — CID 53328814

IUPAC6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)nn1CC(F)(F)F)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H19F3N8O/c24-23(25,26)12-34-20(9-19(33-34)17-3-1-2-8-29-17)32-22(35)21-18(30-15-10-27-13-28-11-15)7-6-16(31-21)14-4-5-14/h1-3,6-11,13-14,30H,4-5,12H2,(H,32,35)
InChIKeyAUEMNISZVBZSEE-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.57
Rot. Bonds7

About 6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328814) has the molecular formula C23H19F3N8O and a molecular weight of 480.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328814
Molecular FormulaC23H19F3N8O
Molecular Weight480.45 g/mol
Exact Mass480.16
IUPAC Name6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)nn1CC(F)(F)F)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H19F3N8O/c24-23(25,26)12-34-20(9-19(33-34)17-3-1-2-8-29-17)32-22(35)21-18(30-15-10-27-13-28-11-15)7-6-16(31-21)14-4-5-14/h1-3,6-11,13-14,30H,4-5,12H2,(H,32,35)
InChIKeyAUEMNISZVBZSEE-UHFFFAOYSA-N
XLogP4.57
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54761643
6-cyclopropyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328251
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328253
6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328637
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-phenyl-imidazo[1,2-a]pyrimidin-7-yl)-amide
CID 53468024
6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide
CID 54760571
6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methyl-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 58548370
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3,3-difluoro-azetidine-1-carbonyl)-pyridin-3-yl]-amide
CID 70116466
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-cyclohexyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-amide
CID 53328447
N-[3-(6-chloro-2-pyridinyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328816
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-quinolin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328817

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328814) is 6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cc(-c2ccccn2)nn1CC(F)(F)F)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is AUEMNISZVBZSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N8O/c24-23(25,26)12-34-20(9-19(33-34)17-3-1-2-8-29-17)32-22(35)21-18(30-15-10-27-13-28-11-15)7-6-16(31-21)14-4-5-14/h1-3,6-11,13-14,30H,4-5,12H2,(H,32,35).
What are the key properties of 6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).