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

C22H18F3N5O2 — CID 164867043

IUPAC4-amino-N-[(4R)-7,8-difluoro-3,4-dihydro-1H-isochromen-4-yl]-7-fluoro-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12)[C@H]1COCc2c1ccc(F)c2F
InChIInChI=1S/C22H18F3N5O2/c1-29(18-9-32-8-14-10(18)3-4-15(23)19(14)25)22(31)11-5-12-17(6-16(11)24)28-21(26)13-7-27-30(2)20(12)13/h3-7,18H,8-9H2,1-2H3,(H2,26,28)/t18-/m0/s1
InChIKeyOKSOAQIWUDEKKA-SFHVURJKSA-N
MW441.41 g/mol
LogP3.46
Rot. Bonds2

About 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

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 (PubChem CID 164867043) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-amino-N-[(4R)-7,8-difluoro-3,4-dihydro-1H-isochromen-4-yl]-7-fluoro-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID164867043
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name4-amino-N-[(4R)-7,8-difluoro-3,4-dihydro-1H-isochromen-4-yl]-7-fluoro-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12)[C@H]1COCc2c1ccc(F)c2F
InChIInChI=1S/C22H18F3N5O2/c1-29(18-9-32-8-14-10(18)3-4-15(23)19(14)25)22(31)11-5-12-17(6-16(11)24)28-21(26)13-7-27-30(2)20(12)13/h3-7,18H,8-9H2,1-2H3,(H2,26,28)/t18-/m0/s1
InChIKeyOKSOAQIWUDEKKA-SFHVURJKSA-N
XLogP3.46
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-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-N-[(3R)-6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]-7-fluoro-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 170556804
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
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-N-(7-bromo-3,4-dihydro-1H-isochromen-4-yl)-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867177
4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 177043091
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
4-amino-7-chloro-N-(6-ethynyl-2,3-dihydro-1-benzofuran-3-yl)-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 171812122
4-amino-7-chloro-N,1-dimethyl-N-[(3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866920
4-amino-N-(6-bromo-2,3-dihydro-1-benzothiophen-3-yl)-7-fluoro-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
CID 164866882

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12)[C@H]1COCc2c1ccc(F)c2F.
What is the InChIKey of 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?
The InChIKey is OKSOAQIWUDEKKA-SFHVURJKSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c1-29(18-9-32-8-14-10(18)3-4-15(23)19(14)25)22(31)11-5-12-17(6-16(11)24)28-21(26)13-7-27-30(2)20(12)13/h3-7,18H,8-9H2,1-2H3,(H2,26,28)/t18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 441.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164867043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).