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

C29H20FN5O2 — CID 15941368

IUPACN-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCOc1cc2nc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)[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)35-29(36)18-10-12-32-27-17(18)9-11-31-27/h2-14,26H,1H3,(H,31,32)(H,33,34)(H,35,36)
InChIKeyZWNUHVWMPZGINF-UHFFFAOYSA-N
MW489.51 g/mol
LogP5.75
Rot. Bonds4

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

N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 15941368) has the molecular formula C29H20FN5O2 and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID15941368
Molecular FormulaC29H20FN5O2
Molecular Weight489.51 g/mol
Exact Mass489.16
IUPAC NameN-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCOc1cc2nc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)[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)35-29(36)18-10-12-32-27-17(18)9-11-31-27/h2-14,26H,1H3,(H,31,32)(H,33,34)(H,35,36)
InChIKeyZWNUHVWMPZGINF-UHFFFAOYSA-N
XLogP5.75
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.51
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-(5-methoxy-1H-benzo[d]imidazol-2-yl)isoindolin-1-one
CID 16666858
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-imidazol-2-yl)phenyl]benzamide
CID 44189621
N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]-2-(1H-pyrrol-2-yl)benzamide
CID 44428103
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-4-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]benzamide
CID 137639114
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
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
US9732075, Example 5.281
CID 118127987
US9732075, Example 6.151
CID 118128076

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 15941368) is N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is COc1cc2nc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)[nH]c2cc1F.
What is the InChIKey of N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is ZWNUHVWMPZGINF-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)35-29(36)18-10-12-32-27-17(18)9-11-31-27/h2-14,26H,1H3,(H,31,32)(H,33,34)(H,35,36).
What are the key properties of N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 5.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 15941368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).