N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide

C22H16F4N6O2 — CID 67007053

IUPACN-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CC(O)C(NC(=O)c2cnc(-c3cccc(F)c3)nc2)C1
InChIInChI=1S/C22H16F4N6O2/c23-15-3-1-2-12(6-15)19-28-8-14(9-29-19)21(34)30-16-10-32(11-17(16)33)20-13(7-27)4-5-18(31-20)22(24,25)26/h1-6,8-9,16-17,33H,10-11H2,(H,30,34)
InChIKeyJJYWIMKPGJQRAH-UHFFFAOYSA-N
MW472.40 g/mol
LogP2.55
Rot. Bonds4

About N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide

N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 67007053) has the molecular formula C22H16F4N6O2 and a molecular weight of 472.40 g/mol. Its IUPAC name is N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID67007053
Molecular FormulaC22H16F4N6O2
Molecular Weight472.40 g/mol
Exact Mass472.13
IUPAC NameN-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CC(O)C(NC(=O)c2cnc(-c3cccc(F)c3)nc2)C1
InChIInChI=1S/C22H16F4N6O2/c23-15-3-1-2-12(6-15)19-28-8-14(9-29-19)21(34)30-16-10-32(11-17(16)33)20-13(7-27)4-5-18(31-20)22(24,25)26/h1-6,8-9,16-17,33H,10-11H2,(H,30,34)
InChIKeyJJYWIMKPGJQRAH-UHFFFAOYSA-N
XLogP2.55
TPSA115.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-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-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide (CID 67007053) is N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide is N#Cc1ccc(C(F)(F)F)nc1N1CC(O)C(NC(=O)c2cnc(-c3cccc(F)c3)nc2)C1.
What is the InChIKey of N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is JJYWIMKPGJQRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N6O2/c23-15-3-1-2-12(6-15)19-28-8-14(9-29-19)21(34)30-16-10-32(11-17(16)33)20-13(7-27)4-5-18(31-20)22(24,25)26/h1-6,8-9,16-17,33H,10-11H2,(H,30,34).
What are the key properties of N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide?
N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 472.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 67007053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).