[1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone

C23H24ClF3N6O — CID 166815149

IUPAC[1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCn1nc(C(F)(F)F)c2c1CN(C(=O)C1CCN(c3c(N)cnc4ccc(Cl)cc34)CC1)CC2
InChIInChI=1S/C23H24ClF3N6O/c1-31-19-12-33(9-6-15(19)21(30-31)23(25,26)27)22(34)13-4-7-32(8-5-13)20-16-10-14(24)2-3-18(16)29-11-17(20)28/h2-3,10-11,13H,4-9,12,28H2,1H3
InChIKeyOOIRZBQFNUDKDC-UHFFFAOYSA-N
MW492.93 g/mol
LogP4.02
Rot. Bonds2

About [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone

[1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 166815149) has the molecular formula C23H24ClF3N6O and a molecular weight of 492.93 g/mol. Its IUPAC name is [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID166815149
Molecular FormulaC23H24ClF3N6O
Molecular Weight492.93 g/mol
Exact Mass492.17
IUPAC Name[1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCn1nc(C(F)(F)F)c2c1CN(C(=O)C1CCN(c3c(N)cnc4ccc(Cl)cc34)CC1)CC2
InChIInChI=1S/C23H24ClF3N6O/c1-31-19-12-33(9-6-15(19)21(30-31)23(25,26)27)22(34)13-4-7-32(8-5-13)20-16-10-14(24)2-3-18(16)29-11-17(20)28/h2-3,10-11,13H,4-9,12,28H2,1H3
InChIKeyOOIRZBQFNUDKDC-UHFFFAOYSA-N
XLogP4.02
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone with MolForge

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Related Compounds

6-chloro-4-[4-[5,5-dimethyl-3-(trifluoromethyl)-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134264121
1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118561646
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
6-methyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002630
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
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172
1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol
CID 106835353
1-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]azepane-4-carboxylic acid
CID 118561257
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 24597447
6-chloro-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile
CID 133316678
methyl 2-[2-[1-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate
CID 118561274
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (CID 166815149) is [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is Cn1nc(C(F)(F)F)c2c1CN(C(=O)C1CCN(c3c(N)cnc4ccc(Cl)cc34)CC1)CC2.
What is the InChIKey of [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is OOIRZBQFNUDKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N6O/c1-31-19-12-33(9-6-15(19)21(30-31)23(25,26)27)22(34)13-4-7-32(8-5-13)20-16-10-14(24)2-3-18(16)29-11-17(20)28/h2-3,10-11,13H,4-9,12,28H2,1H3.
What are the key properties of [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?
[1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 492.93 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-6-chloroquinolin-4-yl)piperidin-4-yl]-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 166815149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).