4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide

C28H29N5O2 — CID 4749531

IUPAC4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cn2)C(c2cnn(C)c2C)C2C(=O)CC(c3ccccc3)C=C2N1
InChIInChI=1S/C28H29N5O2/c1-16-10-11-24(29-14-16)32-28(35)25-17(2)31-22-12-20(19-8-6-5-7-9-19)13-23(34)27(22)26(25)21-15-30-33(4)18(21)3/h5-12,14-15,20,26-27,31H,13H2,1-4H3,(H,29,32,35)
InChIKeyWJHBOYUXGGIMKF-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.29
Rot. Bonds4

About 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide

4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 4749531) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID4749531
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cn2)C(c2cnn(C)c2C)C2C(=O)CC(c3ccccc3)C=C2N1
InChIInChI=1S/C28H29N5O2/c1-16-10-11-24(29-14-16)32-28(35)25-17(2)31-22-12-20(19-8-6-5-7-9-19)13-23(34)27(22)26(25)21-15-30-33(4)18(21)3/h5-12,14-15,20,26-27,31H,13H2,1-4H3,(H,29,32,35)
InChIKeyWJHBOYUXGGIMKF-UHFFFAOYSA-N
XLogP4.29
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
CID 4748751
4-(2,3-dichlorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
CID 4749035
2-methyl-N-(4-methylpyridin-1-ium-2-yl)-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide
CID 4749789
methyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 3294477
(4S,4aR,7R)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 11899724
(4R,7S)-2-methyl-N-(5-methyl-2-pyridinyl)-4-(3-methylthiophen-2-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1225636
2-methyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 6468673
2-phenylethyl 2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4083485
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
propan-2-yl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4998847
(4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51552419
(4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51650072

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide (CID 4749531) is 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccc(C)cn2)C(c2cnn(C)c2C)C2C(=O)CC(c3ccccc3)C=C2N1.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is WJHBOYUXGGIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-16-10-11-24(29-14-16)32-28(35)25-17(2)31-22-12-20(19-8-6-5-7-9-19)13-23(34)27(22)26(25)21-15-30-33(4)18(21)3/h5-12,14-15,20,26-27,31H,13H2,1-4H3,(H,29,32,35).
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide?
4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 4749531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).