N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

C22H24N6O — CID 172881913

IUPACN-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(c3nc4ccccc4cc3C#N)CC2)nn1C
InChIInChI=1S/C22H24N6O/c1-15-12-20(25-27(15)3)22(29)26(2)18-8-10-28(11-9-18)21-17(14-23)13-16-6-4-5-7-19(16)24-21/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyPFZRIYWCMMQETF-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.89
Rot. Bonds3

About N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 172881913) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID172881913
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(c3nc4ccccc4cc3C#N)CC2)nn1C
InChIInChI=1S/C22H24N6O/c1-15-12-20(25-27(15)3)22(29)26(2)18-8-10-28(11-9-18)21-17(14-23)13-16-6-4-5-7-19(16)24-21/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyPFZRIYWCMMQETF-UHFFFAOYSA-N
XLogP2.89
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-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

2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023
2-(4-Benzoyl-piperazin-1-yl)-7-methyl-quinoline-3-carbonitrile
CID 24747107
3-[4-(1-Benzyl-3-tert-butylpyrazole-5-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 44526797
(5,7-Diphenylpyrazolo[1,5-a]pyrimidin-2-yl)(2-methylpiperidin-1-yl)methanone
CID 3113006
(5-amino-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)(azetidin-1-yl)methanone
CID 118660701
(5-amino-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)(pyrrolidin-1-yl)methanone
CID 118660910
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375515
5-methyl-1-(2-methylphenyl)-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375587
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375650
2-(4-benzoyl-1-piperazinyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxaline
CID 2236889
3,4-dihydro-2H-quinolin-1-yl-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 8106018
4-(4-Methyl-piperazin-1-yl)-2-propyl-2,3-dihydro-pyrrolo[3,4-c]quinolin-1-one
CID 11301775

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 172881913) is N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C2CCN(c3nc4ccccc4cc3C#N)CC2)nn1C.
What is the InChIKey of N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is PFZRIYWCMMQETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15-12-20(25-27(15)3)22(29)26(2)18-8-10-28(11-9-18)21-17(14-23)13-16-6-4-5-7-19(16)24-21/h4-7,12-13,18H,8-11H2,1-3H3.
What are the key properties of N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172881913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).