(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

C27H26ClN5O2 — CID 51552419

IUPAC(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
SMILESCC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2c(C)nn(-c3ccccc3)c2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C27H26ClN5O2/c1-15-12-13-21(29-14-15)31-27(35)23-16(2)30-19-10-7-11-20(34)24(19)25(23)22-17(3)32-33(26(22)28)18-8-5-4-6-9-18/h4-6,8-9,12-14,25,30H,7,10-11H2,1-3H3,(H,29,31,35)/t25-/m0/s1
InChIKeyFYTDARVPSDDDGF-VWLOTQADSA-N
MW487.99 g/mol
LogP5.14
Rot. Bonds4

About (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

(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 (PubChem CID 51552419) has the molecular formula C27H26ClN5O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID51552419
Molecular FormulaC27H26ClN5O2
Molecular Weight487.99 g/mol
Exact Mass487.18
IUPAC Name(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
SMILESCC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2c(C)nn(-c3ccccc3)c2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C27H26ClN5O2/c1-15-12-13-21(29-14-15)31-27(35)23-16(2)30-19-10-7-11-20(34)24(19)25(23)22-17(3)32-33(26(22)28)18-8-5-4-6-9-18/h4-6,8-9,12-14,25,30H,7,10-11H2,1-3H3,(H,29,31,35)/t25-/m0/s1
InChIKeyFYTDARVPSDDDGF-VWLOTQADSA-N
XLogP5.14
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.99
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

4-(3-chlorophenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3556959
(4R)-2-methyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1223831
(4S)-N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022458
2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4585046
(4R)-4-(4-chlorophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230529
(4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51409811
(4S)-4-(2-chlorophenyl)-2,7,7-trimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1348953
(4R)-4-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022568
(4R)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848352
(4S)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230507
3-methyl-4-[4-(3-methyl-5-oxo-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-4-yl)phenyl]-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135765340
(4S)-N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92844182

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2c(C)nn(-c3ccccc3)c2Cl)C2=C(CCCC2=O)N1.
What is the InChIKey of (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?
The InChIKey is FYTDARVPSDDDGF-VWLOTQADSA-N. The full InChI is InChI=1S/C27H26ClN5O2/c1-15-12-13-21(29-14-15)31-27(35)23-16(2)30-19-10-7-11-20(34)24(19)25(23)22-17(3)32-33(26(22)28)18-8-5-4-6-9-18/h4-6,8-9,12-14,25,30H,7,10-11H2,1-3H3,(H,29,31,35)/t25-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 487.99 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 51552419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).