N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide

C26H22FN5O — CID 68694369

IUPACN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCn1c(C2CC2)nc2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3ccncc3)ccc21
InChIInChI=1S/C26H22FN5O/c1-31-23-7-5-20(14-21(23)30-25(31)17-2-3-17)29-26(33)24-13-18-12-19(27)4-6-22(18)32(24)15-16-8-10-28-11-9-16/h4-14,17H,2-3,15H2,1H3,(H,29,33)
InChIKeyOFSHKNZNUDNWDT-UHFFFAOYSA-N
MW439.49 g/mol
LogP5.24
Rot. Bonds5

About N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide (PubChem CID 68694369) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide
PubChem CID68694369
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCn1c(C2CC2)nc2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3ccncc3)ccc21
InChIInChI=1S/C26H22FN5O/c1-31-23-7-5-20(14-21(23)30-25(31)17-2-3-17)29-26(33)24-13-18-12-19(27)4-6-22(18)32(24)15-16-8-10-28-11-9-16/h4-14,17H,2-3,15H2,1H3,(H,29,33)
InChIKeyOFSHKNZNUDNWDT-UHFFFAOYSA-N
XLogP5.24
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide
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N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide (CID 68694369) is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide is Cn1c(C2CC2)nc2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3ccncc3)ccc21.
What is the InChIKey of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
The InChIKey is OFSHKNZNUDNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O/c1-31-23-7-5-20(14-21(23)30-25(31)17-2-3-17)29-26(33)24-13-18-12-19(27)4-6-22(18)32(24)15-16-8-10-28-11-9-16/h4-14,17H,2-3,15H2,1H3,(H,29,33).
What are the key properties of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide?
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 68694369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).