N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide

C22H25FN8O — CID 123494632

IUPACN-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide
SMILESCc1cnc(N2CCC(N(C(=O)c3cnc(-n4ccnc4C)nc3)C3CC3)C(F)C2)nc1
InChIInChI=1S/C22H25FN8O/c1-14-9-25-21(26-10-14)29-7-5-19(18(23)13-29)31(17-3-4-17)20(32)16-11-27-22(28-12-16)30-8-6-24-15(30)2/h6,8-12,17-19H,3-5,7,13H2,1-2H3
InChIKeyCTKFEGBAVXLRAQ-UHFFFAOYSA-N
MW436.50 g/mol
LogP2.29
Rot. Bonds5

About N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide

N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide (PubChem CID 123494632) has the molecular formula C22H25FN8O and a molecular weight of 436.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide
PubChem CID123494632
Molecular FormulaC22H25FN8O
Molecular Weight436.50 g/mol
Exact Mass436.21
IUPAC NameN-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide
SMILESCc1cnc(N2CCC(N(C(=O)c3cnc(-n4ccnc4C)nc3)C3CC3)C(F)C2)nc1
InChIInChI=1S/C22H25FN8O/c1-14-9-25-21(26-10-14)29-7-5-19(18(23)13-29)31(17-3-4-17)20(32)16-11-27-22(28-12-16)30-8-6-24-15(30)2/h6,8-12,17-19H,3-5,7,13H2,1-2H3
InChIKeyCTKFEGBAVXLRAQ-UHFFFAOYSA-N
XLogP2.29
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide
CID 78012007
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
N-cyclopropyl-N-[(3S,4R)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-yl]-6-iodopyridine-3-carboxamide
CID 89285405
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
5-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 63811500
N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109262348
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788
tert-butyl N-[(3R)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 164950783
tert-butyl N-[1-[5-[(1-carbamimidoylpiperidin-4-yl)-cyclopropylcarbamoyl]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 144535386
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
(4,4-difluoropiperidin-1-yl)-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanone
CID 165431783

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide (CID 123494632) is N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide is Cc1cnc(N2CCC(N(C(=O)c3cnc(-n4ccnc4C)nc3)C3CC3)C(F)C2)nc1.
What is the InChIKey of N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide?
The InChIKey is CTKFEGBAVXLRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O/c1-14-9-25-21(26-10-14)29-7-5-19(18(23)13-29)31(17-3-4-17)20(32)16-11-27-22(28-12-16)30-8-6-24-15(30)2/h6,8-12,17-19H,3-5,7,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide?
N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide has a molecular weight of 436.50 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 123494632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).