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

C29H20N6O2 — CID 90859906

IUPACN-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=CNc1ccc2nc(-c3cccc4c3-c3ccccc3[C@H]4NC(=O)c3ccnc4[nH]ccc34)[nH]c2c1
InChIInChI=1S/C29H20N6O2/c36-15-32-16-8-9-23-24(14-16)34-28(33-23)22-7-3-6-21-25(22)17-4-1-2-5-18(17)26(21)35-29(37)20-11-13-31-27-19(20)10-12-30-27/h1-15,26H,(H,30,31)(H,32,36)(H,33,34)(H,35,37)/t26-/m1/s1
InChIKeyXMGVQUJZHZJEJX-AREMUKBSSA-N
MW484.52 g/mol
LogP5.17
Rot. Bonds5

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

N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 90859906) has the molecular formula C29H20N6O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID90859906
Molecular FormulaC29H20N6O2
Molecular Weight484.52 g/mol
Exact Mass484.16
IUPAC NameN-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=CNc1ccc2nc(-c3cccc4c3-c3ccccc3[C@H]4NC(=O)c3ccnc4[nH]ccc34)[nH]c2c1
InChIInChI=1S/C29H20N6O2/c36-15-32-16-8-9-23-24(14-16)34-28(33-23)22-7-3-6-21-25(22)17-4-1-2-5-18(17)26(21)35-29(37)20-11-13-31-27-19(20)10-12-30-27/h1-15,26H,(H,30,31)(H,32,36)(H,33,34)(H,35,37)/t26-/m1/s1
InChIKeyXMGVQUJZHZJEJX-AREMUKBSSA-N
XLogP5.17
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15942612
N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15940908
N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 91578411
N-(3-hydroxypropyl)-2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxamide
CID 15941221
N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 44537864
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 59334057
N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 59334080
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-oxo-2,3-dihydroindene-4-carboxamide
CID 59208239
N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 59334065
2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
CID 11978794
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide
CID 59208238
N-[4-(6-morpholin-4-yl-3-pyridinyl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 24947167

Frequently Asked Questions

What is the IUPAC name of N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 90859906) is N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=CNc1ccc2nc(-c3cccc4c3-c3ccccc3[C@H]4NC(=O)c3ccnc4[nH]ccc34)[nH]c2c1.
What is the InChIKey of N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is XMGVQUJZHZJEJX-AREMUKBSSA-N. The full InChI is InChI=1S/C29H20N6O2/c36-15-32-16-8-9-23-24(14-16)34-28(33-23)22-7-3-6-21-25(22)17-4-1-2-5-18(17)26(21)35-29(37)20-11-13-31-27-19(20)10-12-30-27/h1-15,26H,(H,30,31)(H,32,36)(H,33,34)(H,35,37)/t26-/m1/s1.
What are the key properties of N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 5.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 90859906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).