5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid

C26H27N5O4 — CID 171809808

IUPAC5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid
SMILESCC(C)c1cc(N2CCCc3cn(-c4ccc(C(=O)O)nc4)c(=O)cc32)cc2c1n(C)c(=O)n2C
InChIInChI=1S/C26H27N5O4/c1-15(2)19-10-18(11-22-24(19)29(4)26(35)28(22)3)30-9-5-6-16-14-31(23(32)12-21(16)30)17-7-8-20(25(33)34)27-13-17/h7-8,10-15H,5-6,9H2,1-4H3,(H,33,34)
InChIKeyOCHVMGMTSKHMGR-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.33
Rot. Bonds4

About 5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid

5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid (PubChem CID 171809808) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid
PubChem CID171809808
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid
SMILESCC(C)c1cc(N2CCCc3cn(-c4ccc(C(=O)O)nc4)c(=O)cc32)cc2c1n(C)c(=O)n2C
InChIInChI=1S/C26H27N5O4/c1-15(2)19-10-18(11-22-24(19)29(4)26(35)28(22)3)30-9-5-6-16-14-31(23(32)12-21(16)30)17-7-8-20(25(33)34)27-13-17/h7-8,10-15H,5-6,9H2,1-4H3,(H,33,34)
InChIKeyOCHVMGMTSKHMGR-UHFFFAOYSA-N
XLogP3.33
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid (CID 171809808) is 5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid is CC(C)c1cc(N2CCCc3cn(-c4ccc(C(=O)O)nc4)c(=O)cc32)cc2c1n(C)c(=O)n2C.
What is the InChIKey of 5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid?
The InChIKey is OCHVMGMTSKHMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-15(2)19-10-18(11-22-24(19)29(4)26(35)28(22)3)30-9-5-6-16-14-31(23(32)12-21(16)30)17-7-8-20(25(33)34)27-13-17/h7-8,10-15H,5-6,9H2,1-4H3,(H,33,34).
What are the key properties of 5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid?
5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid has a molecular weight of 473.53 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)-7-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 171809808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).