N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C26H17FN6O — CID 44537864

IUPACN-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1c2cccc(-c3nc4ccc(F)cc4[nH]3)c2-n2cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C26H17FN6O/c27-14-6-7-19-20(13-14)31-25(30-19)18-4-1-3-17-22(21-5-2-12-33(21)23(17)18)32-26(34)16-9-11-29-24-15(16)8-10-28-24/h1-13,22H,(H,28,29)(H,30,31)(H,32,34)
InChIKeyQWIVTPLIAUYEFV-UHFFFAOYSA-N
MW448.46 g/mol
LogP4.87
Rot. Bonds3

About N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 44537864) has the molecular formula C26H17FN6O and a molecular weight of 448.46 g/mol. Its IUPAC name is N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID44537864
Molecular FormulaC26H17FN6O
Molecular Weight448.46 g/mol
Exact Mass448.14
IUPAC NameN-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1c2cccc(-c3nc4ccc(F)cc4[nH]3)c2-n2cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C26H17FN6O/c27-14-6-7-19-20(13-14)31-25(30-19)18-4-1-3-17-22(21-5-2-12-33(21)23(17)18)32-26(34)16-9-11-29-24-15(16)8-10-28-24/h1-13,22H,(H,28,29)(H,30,31)(H,32,34)
InChIKeyQWIVTPLIAUYEFV-UHFFFAOYSA-N
XLogP4.87
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide with MolForge

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Related Compounds

1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate
CID 71147570
N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 90859906
N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15942612
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-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15940908
N-(3-hydroxypropyl)-2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxamide
CID 15941221
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
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-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 59334057
2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide
CID 123990300
N-[4-(6-morpholin-4-yl-3-pyridinyl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 24947167
1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone
CID 158663916

Frequently Asked Questions

What is the IUPAC name of N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of 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) is N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C(NC1c2cccc(-c3nc4ccc(F)cc4[nH]3)c2-n2cccc21)c1ccnc2[nH]ccc12.
What is the InChIKey of N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is QWIVTPLIAUYEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN6O/c27-14-6-7-19-20(13-14)31-25(30-19)18-4-1-3-17-22(21-5-2-12-33(21)23(17)18)32-26(34)16-9-11-29-24-15(16)8-10-28-24/h1-13,22H,(H,28,29)(H,30,31)(H,32,34).
What are the key properties of N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 448.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(6-fluoro-1H-benzimidazol-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 44537864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).