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

C23H17F2N5O2 — CID 166526476

IUPAC5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2cc(C#N)ccc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H17F2N5O2/c1-30(23(32)18-5-12-4-11(8-26)2-3-17(12)28-18)20-10-27-9-19-21(20)13-6-15(24)16(25)7-14(13)22(31)29-19/h2-7,20,27-28H,9-10H2,1H3,(H,29,31)/t20-/m0/s1
InChIKeyUMPVURPANFSUPS-FQEVSTJZSA-N
MW433.42 g/mol
LogP3.08
Rot. Bonds2

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

5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 166526476) has the molecular formula C23H17F2N5O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
PubChem CID166526476
Molecular FormulaC23H17F2N5O2
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2cc(C#N)ccc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21
InChIInChI=1S/C23H17F2N5O2/c1-30(23(32)18-5-12-4-11(8-26)2-3-17(12)28-18)20-10-27-9-19-21(20)13-6-15(24)16(25)7-14(13)22(31)29-19/h2-7,20,27-28H,9-10H2,1H3,(H,29,31)/t20-/m0/s1
InChIKeyUMPVURPANFSUPS-FQEVSTJZSA-N
XLogP3.08
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide (CID 166526476) is 5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide is CN(C(=O)c1cc2cc(C#N)ccc2[nH]1)[C@H]1CNCc2[nH]c(=O)c3cc(F)c(F)cc3c21.
What is the InChIKey of 5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is UMPVURPANFSUPS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H17F2N5O2/c1-30(23(32)18-5-12-4-11(8-26)2-3-17(12)28-18)20-10-27-9-19-21(20)13-6-15(24)16(25)7-14(13)22(31)29-19/h2-7,20,27-28H,9-10H2,1H3,(H,29,31)/t20-/m0/s1.
What are the key properties of 5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1R)-8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166526476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).