6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile

C25H26ClN5O — CID 134275679

IUPAC6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile
SMILESCc1nc2ccc(Cl)cc2c(N2CCC(C(=O)N3CCn4cccc4C3)C(C)C2)c1C#N
InChIInChI=1S/C25H26ClN5O/c1-16-14-30(24-21-12-18(26)5-6-23(21)28-17(2)22(24)13-27)9-7-20(16)25(32)31-11-10-29-8-3-4-19(29)15-31/h3-6,8,12,16,20H,7,9-11,14-15H2,1-2H3
InChIKeyFNQVPEKVLOJXKX-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.37
Rot. Bonds2

About 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile

6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile (PubChem CID 134275679) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile
PubChem CID134275679
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile
SMILESCc1nc2ccc(Cl)cc2c(N2CCC(C(=O)N3CCn4cccc4C3)C(C)C2)c1C#N
InChIInChI=1S/C25H26ClN5O/c1-16-14-30(24-21-12-18(26)5-6-23(21)28-17(2)22(24)13-27)9-7-20(16)25(32)31-11-10-29-8-3-4-19(29)15-31/h3-6,8,12,16,20H,7,9-11,14-15H2,1-2H3
InChIKeyFNQVPEKVLOJXKX-UHFFFAOYSA-N
XLogP4.37
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile with MolForge

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Related Compounds

6-chloro-4-[(3S,4S)-4-(6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile
CID 134264353
6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134264086
[1-(6-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-imino-4-(2,2,2-trifluoroethanimidoyl)piperazin-1-yl]methanone
CID 166813270
6-chloro-4-[(3S,4R)-3-methoxy-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile;6-chloro-4-[(3S,4S)-3-methoxy-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 158046621
2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134264241
tert-butyl 4-(6-chloro-3-cyanoquinolin-4-yl)-2-methylpiperazine-1-carboxylate
CID 134264340
6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133318930
methyl 4-(6-chloro-3-cyanoquinolin-4-yl)piperazine-1-carboxylate
CID 133319825
6,8-difluoro-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134264205
6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133328448
[(3S,4S)-1-[3-chloro-7-[(1R)-1-hydroxyethyl]quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 151728568
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile (CID 134275679) is 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile is Cc1nc2ccc(Cl)cc2c(N2CCC(C(=O)N3CCn4cccc4C3)C(C)C2)c1C#N.
What is the InChIKey of 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile?
The InChIKey is FNQVPEKVLOJXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-16-14-30(24-21-12-18(26)5-6-23(21)28-17(2)22(24)13-27)9-7-20(16)25(32)31-11-10-29-8-3-4-19(29)15-31/h3-6,8,12,16,20H,7,9-11,14-15H2,1-2H3.
What are the key properties of 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile?
6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile has a molecular weight of 447.97 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-3-methylpiperidin-1-yl]-2-methylquinoline-3-carbonitrile is sourced from PubChem (CID 134275679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).