1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide

C29H20FN5O2 — CID 151468396

IUPAC1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCOc1cc2nc(-c3cccc4c3-c3ccccc3C4n3ccc4c(C(N)=O)ccnc43)[nH]c2cc1F
InChIInChI=1S/C29H20FN5O2/c1-37-24-14-23-22(13-21(24)30)33-28(34-23)20-8-4-7-19-25(20)15-5-2-3-6-16(15)26(19)35-12-10-18-17(27(31)36)9-11-32-29(18)35/h2-14,26H,1H3,(H2,31,36)(H,33,34)
InChIKeyPJYIRXHLGNIUSZ-UHFFFAOYSA-N
MW489.51 g/mol
LogP5.44
Rot. Bonds4

About 1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide

1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 151468396) has the molecular formula C29H20FN5O2 and a molecular weight of 489.51 g/mol. Its IUPAC name is 1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID151468396
Molecular FormulaC29H20FN5O2
Molecular Weight489.51 g/mol
Exact Mass489.16
IUPAC Name1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCOc1cc2nc(-c3cccc4c3-c3ccccc3C4n3ccc4c(C(N)=O)ccnc43)[nH]c2cc1F
InChIInChI=1S/C29H20FN5O2/c1-37-24-14-23-22(13-21(24)30)33-28(34-23)20-8-4-7-19-25(20)15-5-2-3-6-16(15)26(19)35-12-10-18-17(27(31)36)9-11-32-29(18)35/h2-14,26H,1H3,(H2,31,36)(H,33,34)
InChIKeyPJYIRXHLGNIUSZ-UHFFFAOYSA-N
XLogP5.44
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.51
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-imidazol-2-yl)phenyl]benzamide
CID 44189621
5-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-2-fluorobenzamide
CID 57856403
N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]-2-(1H-pyrrol-2-yl)benzamide
CID 44428103
N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 56925544
2-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6-methoxy-1H-benzimidazole
CID 56925549
N-[(1S)-4-[(1-amino-2-fluoroethylidene)amino]-1-(5-methoxy-1-methylbenzimidazol-2-yl)butyl]-3-oxo-1,2-dihydroisoindole-4-carboxamide
CID 134580790
3-hydroxy-2-(3-methoxyphenyl)-3-[2-(pyrazin-2-ylamino)-3H-benzimidazol-5-yl]isoindol-1-one
CID 58200333
2-(1H-indol-3-ylmethyl)-9-(6-methoxy-1H-benzimidazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 67251012
N-(6-(5-methoxy-2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)pyridin-3-yl)-4-methylnicotinamide
CID 71010112
6-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-benzimidazole-2-carboxamide
CID 90683900
US9732075, Example 5.241
CID 118127337
US9732075, Example 5.240
CID 118127721

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of 1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide (CID 151468396) is 1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for 1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide is COc1cc2nc(-c3cccc4c3-c3ccccc3C4n3ccc4c(C(N)=O)ccnc43)[nH]c2cc1F.
What is the InChIKey of 1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is PJYIRXHLGNIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN5O2/c1-37-24-14-23-22(13-21(24)30)33-28(34-23)20-8-4-7-19-25(20)15-5-2-3-6-16(15)26(19)35-12-10-18-17(27(31)36)9-11-32-29(18)35/h2-14,26H,1H3,(H2,31,36)(H,33,34).
What are the key properties of 1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide?
1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 151468396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).