N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide

C21H24FN5O — CID 140816424

IUPACN-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide
SMILESCn1cc(-c2ccc3c(CCF)nc(NC(=O)C4CCNCC4)cc3c2)cn1
InChIInChI=1S/C21H24FN5O/c1-27-13-17(12-24-27)15-2-3-18-16(10-15)11-20(25-19(18)4-7-22)26-21(28)14-5-8-23-9-6-14/h2-3,10-14,23H,4-9H2,1H3,(H,25,26,28)
InChIKeyMKLVUUBFDWVEKK-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.09
Rot. Bonds5

About N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide

N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide (PubChem CID 140816424) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide
PubChem CID140816424
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC NameN-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide
SMILESCn1cc(-c2ccc3c(CCF)nc(NC(=O)C4CCNCC4)cc3c2)cn1
InChIInChI=1S/C21H24FN5O/c1-27-13-17(12-24-27)15-2-3-18-16(10-15)11-20(25-19(18)4-7-22)26-21(28)14-5-8-23-9-6-14/h2-3,10-14,23H,4-9H2,1H3,(H,25,26,28)
InChIKeyMKLVUUBFDWVEKK-UHFFFAOYSA-N
XLogP3.09
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-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-(2-methoxyethyl)-6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]piperidine-4-carboxamide
CID 140816462
(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138588985
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586873
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138588367
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 138587776
4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138591258
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide (CID 140816424) is N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide is Cn1cc(-c2ccc3c(CCF)nc(NC(=O)C4CCNCC4)cc3c2)cn1.
What is the InChIKey of N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
The InChIKey is MKLVUUBFDWVEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-27-13-17(12-24-27)15-2-3-18-16(10-15)11-20(25-19(18)4-7-22)26-21(28)14-5-8-23-9-6-14/h2-3,10-14,23H,4-9H2,1H3,(H,25,26,28).
What are the key properties of N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 140816424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).