4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide

C22H18ClF3N6O — CID 164867151

IUPAC4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c(cc1Cl)nc(N)c1c2cnn1C)C1CCc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C22H18ClF3N6O/c1-31(17-5-4-15-10(17)3-6-18(29-15)22(24,25)26)21(33)12-7-11-13-9-28-32(2)19(13)20(27)30-16(11)8-14(12)23/h3,6-9,17H,4-5H2,1-2H3,(H2,27,30)
InChIKeyYHEQMQMASBDLRM-UHFFFAOYSA-N
MW474.87 g/mol
LogP4.53
Rot. Bonds2

About 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide

4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide (PubChem CID 164867151) has the molecular formula C22H18ClF3N6O and a molecular weight of 474.87 g/mol. Its IUPAC name is 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
PubChem CID164867151
Molecular FormulaC22H18ClF3N6O
Molecular Weight474.87 g/mol
Exact Mass474.12
IUPAC Name4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c(cc1Cl)nc(N)c1c2cnn1C)C1CCc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C22H18ClF3N6O/c1-31(17-5-4-15-10(17)3-6-18(29-15)22(24,25)26)21(33)12-7-11-13-9-28-32(2)19(13)20(27)30-16(11)8-14(12)23/h3,6-9,17H,4-5H2,1-2H3,(H2,27,30)
InChIKeyYHEQMQMASBDLRM-UHFFFAOYSA-N
XLogP4.53
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide (CID 164867151) is 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide is CN(C(=O)c1cc2c(cc1Cl)nc(N)c1c2cnn1C)C1CCc2nc(C(F)(F)F)ccc21.
What is the InChIKey of 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
The InChIKey is YHEQMQMASBDLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N6O/c1-31(17-5-4-15-10(17)3-6-18(29-15)22(24,25)26)21(33)12-7-11-13-9-28-32(2)19(13)20(27)30-16(11)8-14(12)23/h3,6-9,17H,4-5H2,1-2H3,(H2,27,30).
What are the key properties of 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide has a molecular weight of 474.87 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-N,3-dimethyl-N-[2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).