4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

C23H20F4N6O2 — CID 164866965

IUPAC4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1nn(C)c2c1c(N)nc1cc(F)c(C(=O)N(C)[C@@H]3COCc4nc(C(F)(F)F)ccc43)cc12
InChIInChI=1S/C23H20F4N6O2/c1-10-19-20(33(3)31-10)13-6-12(14(24)7-15(13)30-21(19)28)22(34)32(2)17-9-35-8-16-11(17)4-5-18(29-16)23(25,26)27/h4-7,17H,8-9H2,1-3H3,(H2,28,30)/t17-/m1/s1
InChIKeyJYHZDSQMMSESDC-QGZVFWFLSA-N
MW488.45 g/mol
LogP3.91
Rot. Bonds2

About 4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 164866965) has the molecular formula C23H20F4N6O2 and a molecular weight of 488.45 g/mol. Its IUPAC name is 4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID164866965
Molecular FormulaC23H20F4N6O2
Molecular Weight488.45 g/mol
Exact Mass488.16
IUPAC Name4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1nn(C)c2c1c(N)nc1cc(F)c(C(=O)N(C)[C@@H]3COCc4nc(C(F)(F)F)ccc43)cc12
InChIInChI=1S/C23H20F4N6O2/c1-10-19-20(33(3)31-10)13-6-12(14(24)7-15(13)30-21(19)28)22(34)32(2)17-9-35-8-16-11(17)4-5-18(29-16)23(25,26)27/h4-7,17H,8-9H2,1-3H3,(H2,28,30)/t17-/m1/s1
InChIKeyJYHZDSQMMSESDC-QGZVFWFLSA-N
XLogP3.91
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-7-fluoro-N,1-dimethyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867392
4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 176898486
4-amino-7-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867085
4-amino-7-fluoro-N,3-dimethyl-N-[(5R)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 164867345
4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 164867458
4-amino-N-[(4R)-7,8-difluoro-3,4-dihydro-1H-isochromen-4-yl]-7-fluoro-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867043
4-amino-7-fluoro-N,1-dimethyl-N-[(4R)-7-(trifluoromethoxy)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866892
4-amino-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide
CID 164867180
4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867568
(3R)-4-amino-7-fluoro-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 170556796
5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide
CID 164867569
4-amino-N-[(4R)-8-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]-N,1,7-trimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867057

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 164866965) is 4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is Cc1nn(C)c2c1c(N)nc1cc(F)c(C(=O)N(C)[C@@H]3COCc4nc(C(F)(F)F)ccc43)cc12.
What is the InChIKey of 4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is JYHZDSQMMSESDC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H20F4N6O2/c1-10-19-20(33(3)31-10)13-6-12(14(24)7-15(13)30-21(19)28)22(34)32(2)17-9-35-8-16-11(17)4-5-18(29-16)23(25,26)27/h4-7,17H,8-9H2,1-3H3,(H2,28,30)/t17-/m1/s1.
What are the key properties of 4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 488.45 g/mol, XLogP of 3.91, 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,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 164866965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).