5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide

C26H22FN5O — CID 66811698

IUPAC5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide
SMILESO=C(Nc1ccn2c3c(nc2c1)CCCC3)c1cc2cc(F)ccc2n1Cc1ccncc1
InChIInChI=1S/C26H22FN5O/c27-19-5-6-22-18(13-19)14-24(32(22)16-17-7-10-28-11-8-17)26(33)29-20-9-12-31-23-4-2-1-3-21(23)30-25(31)15-20/h5-15H,1-4,16H2,(H,29,33)
InChIKeyOELVZUMAHDBEIH-UHFFFAOYSA-N
MW439.49 g/mol
LogP5.00
Rot. Bonds4

About 5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide

5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide (PubChem CID 66811698) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is 5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide
PubChem CID66811698
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC Name5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide
SMILESO=C(Nc1ccn2c3c(nc2c1)CCCC3)c1cc2cc(F)ccc2n1Cc1ccncc1
InChIInChI=1S/C26H22FN5O/c27-19-5-6-22-18(13-19)14-24(32(22)16-17-7-10-28-11-8-17)26(33)29-20-9-12-31-23-4-2-1-3-21(23)30-25(31)15-20/h5-15H,1-4,16H2,(H,29,33)
InChIKeyOELVZUMAHDBEIH-UHFFFAOYSA-N
XLogP5.00
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide (CID 66811698) is 5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide is O=C(Nc1ccn2c3c(nc2c1)CCCC3)c1cc2cc(F)ccc2n1Cc1ccncc1.
What is the InChIKey of 5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide?
The InChIKey is OELVZUMAHDBEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O/c27-19-5-6-22-18(13-19)14-24(32(22)16-17-7-10-28-11-8-17)26(33)29-20-9-12-31-23-4-2-1-3-21(23)30-25(31)15-20/h5-15H,1-4,16H2,(H,29,33).
What are the key properties of 5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide?
5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide is sourced from PubChem (CID 66811698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).