4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide

C22H18F4N6O2 — CID 164867448

IUPAC4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c(cc1F)nc(N)c1c2cnn1C)[C@@H]1COCc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C22H18F4N6O2/c1-31(17-9-34-8-10-3-11(22(24,25)26)6-28-18(10)17)21(33)13-4-12-14-7-29-32(2)19(14)20(27)30-16(12)5-15(13)23/h3-7,17H,8-9H2,1-2H3,(H2,27,30)/t17-/m1/s1
InChIKeyDQCMPVFOPDMYKZ-QGZVFWFLSA-N
MW474.42 g/mol
LogP3.60
Rot. Bonds2

About 4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide

4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide (PubChem CID 164867448) has the molecular formula C22H18F4N6O2 and a molecular weight of 474.42 g/mol. Its IUPAC name is 4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
PubChem CID164867448
Molecular FormulaC22H18F4N6O2
Molecular Weight474.42 g/mol
Exact Mass474.14
IUPAC Name4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c(cc1F)nc(N)c1c2cnn1C)[C@@H]1COCc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C22H18F4N6O2/c1-31(17-9-34-8-10-3-11(22(24,25)26)6-28-18(10)17)21(33)13-4-12-14-7-29-32(2)19(14)20(27)30-16(12)5-15(13)23/h3-7,17H,8-9H2,1-2H3,(H2,27,30)/t17-/m1/s1
InChIKeyDQCMPVFOPDMYKZ-QGZVFWFLSA-N
XLogP3.60
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-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-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide (CID 164867448) is 4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide is CN(C(=O)c1cc2c(cc1F)nc(N)c1c2cnn1C)[C@@H]1COCc2cc(C(F)(F)F)cnc21.
What is the InChIKey of 4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
The InChIKey is DQCMPVFOPDMYKZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H18F4N6O2/c1-31(17-9-34-8-10-3-11(22(24,25)26)6-28-18(10)17)21(33)13-4-12-14-7-29-32(2)19(14)20(27)30-16(12)5-15(13)23/h3-7,17H,8-9H2,1-2H3,(H2,27,30)/t17-/m1/s1.
What are the key properties of 4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide has a molecular weight of 474.42 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-N,3-dimethyl-N-[(8S)-3-(trifluoromethyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]pyrazolo[5,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).