N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide

C26H22FN5O — CID 24758066

IUPACN-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)nc1n2CCC1)c1cc2cc(F)ccc2n1CCc1cccnc1
InChIInChI=1S/C26H22FN5O/c27-19-5-7-22-18(13-19)14-24(31(22)12-9-17-3-1-10-28-16-17)26(33)29-20-6-8-23-21(15-20)30-25-4-2-11-32(23)25/h1,3,5-8,10,13-16H,2,4,9,11-12H2,(H,29,33)
InChIKeyVRHOMZIISFWTPA-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.97
Rot. Bonds5

About N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide

N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide (PubChem CID 24758066) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide
PubChem CID24758066
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC NameN-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)nc1n2CCC1)c1cc2cc(F)ccc2n1CCc1cccnc1
InChIInChI=1S/C26H22FN5O/c27-19-5-7-22-18(13-19)14-24(31(22)12-9-17-3-1-10-28-16-17)26(33)29-20-6-8-23-21(15-20)30-25-4-2-11-32(23)25/h1,3,5-8,10,13-16H,2,4,9,11-12H2,(H,29,33)
InChIKeyVRHOMZIISFWTPA-UHFFFAOYSA-N
XLogP4.97
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-[(3-fluorophenyl)methyl]-N-(2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-10-yl)indole-2-carboxamide
CID 66905293
1-[(3-fluorophenyl)methyl]-6-methyl-N-(2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-10-yl)indole-2-carboxamide
CID 66905317
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 68694369
2-bromo-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 40704476
5-fluoro-N-(1-methylindol-5-yl)-1-pyridin-3-ylindole-2-carboxamide
CID 25060607
2-(methylamino)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide;hydrochloride
CID 120703565
5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
CID 131950386
2-methylsulfanyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 17434505
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431515
5-fluoro-1-(pyridin-4-ylmethyl)-N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)indole-2-carboxamide
CID 66811698
N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 57431491
2-methylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 18083676

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide (CID 24758066) is N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide is O=C(Nc1ccc2c(c1)nc1n2CCC1)c1cc2cc(F)ccc2n1CCc1cccnc1.
What is the InChIKey of N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide?
The InChIKey is VRHOMZIISFWTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O/c27-19-5-7-22-18(13-19)14-24(31(22)12-9-17-3-1-10-28-16-17)26(33)29-20-6-8-23-21(15-20)30-25-4-2-11-32(23)25/h1,3,5-8,10,13-16H,2,4,9,11-12H2,(H,29,33).
What are the key properties of N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide?
N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)-5-fluoro-1-(2-pyridin-3-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 24758066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).