4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide

C24H20F4N6O2 — CID 171823473

IUPAC4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCn1ncc2c(N)nc3ccc(C(=O)N(Cc4ccc(C(F)(F)F)c(F)c4)N4CCCC4=O)cc3c21
InChIInChI=1S/C24H20F4N6O2/c1-32-21-15-10-14(5-7-19(15)31-22(29)16(21)11-30-32)23(36)34(33-8-2-3-20(33)35)12-13-4-6-17(18(25)9-13)24(26,27)28/h4-7,9-11H,2-3,8,12H2,1H3,(H2,29,31)
InChIKeyPMLOMZUMXXNSHA-UHFFFAOYSA-N
MW500.46 g/mol
LogP4.04
Rot. Bonds4

About 4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 171823473) has the molecular formula C24H20F4N6O2 and a molecular weight of 500.46 g/mol. Its IUPAC name is 4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID171823473
Molecular FormulaC24H20F4N6O2
Molecular Weight500.46 g/mol
Exact Mass500.16
IUPAC Name4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCn1ncc2c(N)nc3ccc(C(=O)N(Cc4ccc(C(F)(F)F)c(F)c4)N4CCCC4=O)cc3c21
InChIInChI=1S/C24H20F4N6O2/c1-32-21-15-10-14(5-7-19(15)31-22(29)16(21)11-30-32)23(36)34(33-8-2-3-20(33)35)12-13-4-6-17(18(25)9-13)24(26,27)28/h4-7,9-11H,2-3,8,12H2,1H3,(H2,29,31)
InChIKeyPMLOMZUMXXNSHA-UHFFFAOYSA-N
XLogP4.04
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide (CID 171823473) is 4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide is Cn1ncc2c(N)nc3ccc(C(=O)N(Cc4ccc(C(F)(F)F)c(F)c4)N4CCCC4=O)cc3c21.
What is the InChIKey of 4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is PMLOMZUMXXNSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O2/c1-32-21-15-10-14(5-7-19(15)31-22(29)16(21)11-30-32)23(36)34(33-8-2-3-20(33)35)12-13-4-6-17(18(25)9-13)24(26,27)28/h4-7,9-11H,2-3,8,12H2,1H3,(H2,29,31).
What are the key properties of 4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 500.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methyl-N-(2-oxopyrrolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 171823473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).