(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone

C25H22N4O — CID 17486470

IUPAC(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C25H22N4O/c1-18-13-14-19-8-5-6-12-23(19)29(18)25(30)22-17-28(21-10-3-2-4-11-21)27-24(22)20-9-7-15-26-16-20/h2-12,15-18H,13-14H2,1H3
InChIKeyMAVRVZCDVKCMNM-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.92
Rot. Bonds3

About (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone

(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone (PubChem CID 17486470) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
PubChem CID17486470
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
SMILESCC1CCc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C25H22N4O/c1-18-13-14-19-8-5-6-12-23(19)29(18)25(30)22-17-28(21-10-3-2-4-11-21)27-24(22)20-9-7-15-26-16-20/h2-12,15-18H,13-14H2,1H3
InChIKeyMAVRVZCDVKCMNM-UHFFFAOYSA-N
XLogP4.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone with MolForge

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Related Compounds

(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 2310421
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607
methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 51153893
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
CID 167974805
(3-fluoro-4-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115645498
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 120819044
1-phenyl-3-pyridin-3-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 8001480
[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 2440747
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
(1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 25363059
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9397141

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The IUPAC name of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone (CID 17486470) is (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The canonical SMILES for (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone is CC1CCc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The InChIKey is MAVRVZCDVKCMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-18-13-14-19-8-5-6-12-23(19)29(18)25(30)22-17-28(21-10-3-2-4-11-21)27-24(22)20-9-7-15-26-16-20/h2-12,15-18H,13-14H2,1H3.
What are the key properties of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone has a molecular weight of 394.48 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 17486470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).