N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide

C22H23ClFN7O — CID 78012007

IUPACN-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)N(C2CC2)C2CCN(c3ncc(Cl)cn3)CC2F)cn1
InChIInChI=1S/C22H23ClFN7O/c1-14-25-7-9-30(14)20-5-2-15(10-26-20)21(32)31(17-3-4-17)19-6-8-29(13-18(19)24)22-27-11-16(23)12-28-22/h2,5,7,9-12,17-19H,3-4,6,8,13H2,1H3
InChIKeyVDATVCVGQOZAME-UHFFFAOYSA-N
MW455.93 g/mol
LogP3.24
Rot. Bonds5

About N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide

N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide (PubChem CID 78012007) has the molecular formula C22H23ClFN7O and a molecular weight of 455.93 g/mol. Its IUPAC name is N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide
PubChem CID78012007
Molecular FormulaC22H23ClFN7O
Molecular Weight455.93 g/mol
Exact Mass455.16
IUPAC NameN-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)N(C2CC2)C2CCN(c3ncc(Cl)cn3)CC2F)cn1
InChIInChI=1S/C22H23ClFN7O/c1-14-25-7-9-30(14)20-5-2-15(10-26-20)21(32)31(17-3-4-17)19-6-8-29(13-18(19)24)22-27-11-16(23)12-28-22/h2,5,7,9-12,17-19H,3-4,6,8,13H2,1H3
InChIKeyVDATVCVGQOZAME-UHFFFAOYSA-N
XLogP3.24
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.93
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 123547513
N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide
CID 123494632
N-cyclopropyl-N-[(3S,4R)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-yl]-6-iodopyridine-3-carboxamide
CID 89285405
propan-2-yl 4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]-3-fluoropiperidine-1-carboxylate
CID 123156321
4-[cyclopropyl-[2-(2-methylimidazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylic acid
CID 122552933
1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
(1-benzyl-2,2-dimethylpyrrolidin-3-yl) 6-(2-methylimidazol-1-yl)pyridine-3-carboxylate
CID 166364329
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 95332115
N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 71112158
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-[methyl-[(Z)-(methylideneamino)methylideneamino]amino]pyrazine-2-carboxamide
CID 172988794
1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide
CID 78902307

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide (CID 78012007) is N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide is Cc1nccn1-c1ccc(C(=O)N(C2CC2)C2CCN(c3ncc(Cl)cn3)CC2F)cn1.
What is the InChIKey of N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide?
The InChIKey is VDATVCVGQOZAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN7O/c1-14-25-7-9-30(14)20-5-2-15(10-26-20)21(32)31(17-3-4-17)19-6-8-29(13-18(19)24)22-27-11-16(23)12-28-22/h2,5,7,9-12,17-19H,3-4,6,8,13H2,1H3.
What are the key properties of N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide?
N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide has a molecular weight of 455.93 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 78012007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).