4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide

C23H17F5N4O2 — CID 166526848

IUPAC4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2c(C(F)F)c(F)ccc2[nH]1)[C@@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H17F5N4O2/c1-32(23(34)16-6-11-15(30-16)3-2-12(24)19(11)21(27)28)18-8-29-7-17-20(18)9-4-13(25)14(26)5-10(9)22(33)31-17/h2-6,18,21,29-30H,7-8H2,1H3,(H,31,33)/t18-/m1/s1
InChIKeySUVWDUGQPCJLGB-GOSISDBHSA-N
MW476.41 g/mol
LogP4.28
Rot. Bonds3

About 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide

4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide (PubChem CID 166526848) has the molecular formula C23H17F5N4O2 and a molecular weight of 476.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide
PubChem CID166526848
Molecular FormulaC23H17F5N4O2
Molecular Weight476.41 g/mol
Exact Mass476.13
IUPAC Name4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2c(C(F)F)c(F)ccc2[nH]1)[C@@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H17F5N4O2/c1-32(23(34)16-6-11-15(30-16)3-2-12(24)19(11)21(27)28)18-8-29-7-17-20(18)9-4-13(25)14(26)5-10(9)22(33)31-17/h2-6,18,21,29-30H,7-8H2,1H3,(H,31,33)/t18-/m1/s1
InChIKeySUVWDUGQPCJLGB-GOSISDBHSA-N
XLogP4.28
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide (CID 166526848) is 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide is CN(C(=O)c1cc2c(C(F)F)c(F)ccc2[nH]1)[C@@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21.
What is the InChIKey of 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide?
The InChIKey is SUVWDUGQPCJLGB-GOSISDBHSA-N. The full InChI is InChI=1S/C23H17F5N4O2/c1-32(23(34)16-6-11-15(30-16)3-2-12(24)19(11)21(27)28)18-8-29-7-17-20(18)9-4-13(25)14(26)5-10(9)22(33)31-17/h2-6,18,21,29-30H,7-8H2,1H3,(H,31,33)/t18-/m1/s1.
What are the key properties of 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide?
4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide has a molecular weight of 476.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[(1S)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-5-fluoro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166526848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).