[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone

C26H26N4O — CID 46885201

IUPAC[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone
SMILESCc1ccc2cc(CC3CCN(C(=O)c4cccc(-c5ccn[nH]5)c4)CC3)ccc2n1
InChIInChI=1S/C26H26N4O/c1-18-5-7-22-16-20(6-8-24(22)28-18)15-19-10-13-30(14-11-19)26(31)23-4-2-3-21(17-23)25-9-12-27-29-25/h2-9,12,16-17,19H,10-11,13-15H2,1H3,(H,27,29)
InChIKeySLWKHQONXOOWPU-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.03
Rot. Bonds4

About [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone

[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 46885201) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID46885201
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone
SMILESCc1ccc2cc(CC3CCN(C(=O)c4cccc(-c5ccn[nH]5)c4)CC3)ccc2n1
InChIInChI=1S/C26H26N4O/c1-18-5-7-22-16-20(6-8-24(22)28-18)15-19-10-13-30(14-11-19)26(31)23-4-2-3-21(17-23)25-9-12-27-29-25/h2-9,12,16-17,19H,10-11,13-15H2,1H3,(H,27,29)
InChIKeySLWKHQONXOOWPU-UHFFFAOYSA-N
XLogP5.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone 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

Galunisertib
CID 10090485
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
c-Met Inhibitor D6808
CID 165437862
Dihydropyrrolopyrazole, 9
CID 10203646
1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 51351159
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
6-[1-(7-methyl-1H-indazol-5-yl)-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butan-2-yl]pyridine-3-carbaldehyde
CID 11341642
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone (CID 46885201) is [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone is Cc1ccc2cc(CC3CCN(C(=O)c4cccc(-c5ccn[nH]5)c4)CC3)ccc2n1.
What is the InChIKey of [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is SLWKHQONXOOWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18-5-7-22-16-20(6-8-24(22)28-18)15-19-10-13-30(14-11-19)26(31)23-4-2-3-21(17-23)25-9-12-27-29-25/h2-9,12,16-17,19H,10-11,13-15H2,1H3,(H,27,29).
What are the key properties of [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone?
[4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 410.52 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 46885201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).