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

C23H19F4N5O3 — CID 164866892

IUPAC4-amino-7-fluoro-N,1-dimethyl-N-[(4R)-7-(trifluoromethoxy)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12)[C@H]1COCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C23H19F4N5O3/c1-31(19-10-34-9-11-5-12(3-4-13(11)19)35-23(25,26)27)22(33)14-6-15-18(7-17(14)24)30-21(28)16-8-29-32(2)20(15)16/h3-8,19H,9-10H2,1-2H3,(H2,28,30)/t19-/m0/s1
InChIKeyKVGHGOMNYNHBKV-IBGZPJMESA-N
MW489.43 g/mol
LogP4.08
Rot. Bonds3

About 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

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 (PubChem CID 164866892) has the molecular formula C23H19F4N5O3 and a molecular weight of 489.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-amino-7-fluoro-N,1-dimethyl-N-[(4R)-7-(trifluoromethoxy)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID164866892
Molecular FormulaC23H19F4N5O3
Molecular Weight489.43 g/mol
Exact Mass489.14
IUPAC Name4-amino-7-fluoro-N,1-dimethyl-N-[(4R)-7-(trifluoromethoxy)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12)[C@H]1COCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C23H19F4N5O3/c1-31(19-10-34-9-11-5-12(3-4-13(11)19)35-23(25,26)27)22(33)14-6-15-18(7-17(14)24)30-21(28)16-8-29-32(2)20(15)16/h3-8,19H,9-10H2,1-2H3,(H2,28,30)/t19-/m0/s1
InChIKeyKVGHGOMNYNHBKV-IBGZPJMESA-N
XLogP4.08
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12)[C@H]1COCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 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?
The InChIKey is KVGHGOMNYNHBKV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H19F4N5O3/c1-31(19-10-34-9-11-5-12(3-4-13(11)19)35-23(25,26)27)22(33)14-6-15-18(7-17(14)24)30-21(28)16-8-29-32(2)20(15)16/h3-8,19H,9-10H2,1-2H3,(H2,28,30)/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 489.43 g/mol, XLogP of 4.08, 3 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-dimethyl-N-[(4R)-7-(trifluoromethoxy)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 164866892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).