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

C49H32FN9O3 — CID 91102614

IUPACN-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOc1cc2nc(-c3cccc4c3-c3ccccc3[C@H]4NC(=O)c3cc4nc(-c5cccc6c5-c5ccccc5[C@H]6NC(=O)c5ccnc6[nH]ccc56)[nH]c4cn3)[nH]c2cc1F
InChIInChI=1S/C49H32FN9O3/c1-62-40-22-37-35(20-34(40)50)54-46(56-37)32-14-7-13-31-42(32)25-9-3-5-11-27(25)44(31)59-49(61)38-21-36-39(23-53-38)57-47(55-36)33-15-6-12-30-41(33)24-8-2-4-10-26(24)43(30)58-48(60)29-17-19-52-45-28(29)16-18-51-45/h2-23,43-44H,1H3,(H,51,52)(H,54,56)(H,55,57)(H,58,60)(H,59,61)/t43-,44-/m1/s1
InChIKeyGRYHRTPALPTABQ-NDOUMJCMSA-N
MW813.85 g/mol
LogP9.19
Rot. Bonds7

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

N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 91102614) has the molecular formula C49H32FN9O3 and a molecular weight of 813.85 g/mol. Its IUPAC name is N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID91102614
Molecular FormulaC49H32FN9O3
Molecular Weight813.85 g/mol
Exact Mass813.26
IUPAC NameN-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCOc1cc2nc(-c3cccc4c3-c3ccccc3[C@H]4NC(=O)c3cc4nc(-c5cccc6c5-c5ccccc5[C@H]6NC(=O)c5ccnc6[nH]ccc56)[nH]c4cn3)[nH]c2cc1F
InChIInChI=1S/C49H32FN9O3/c1-62-40-22-37-35(20-34(40)50)54-46(56-37)32-14-7-13-31-42(32)25-9-3-5-11-27(25)44(31)59-49(61)38-21-36-39(23-53-38)57-47(55-36)33-15-6-12-30-41(33)24-8-2-4-10-26(24)43(30)58-48(60)29-17-19-52-45-28(29)16-18-51-45/h2-23,43-44H,1H3,(H,51,52)(H,54,56)(H,55,57)(H,58,60)(H,59,61)/t43-,44-/m1/s1
InChIKeyGRYHRTPALPTABQ-NDOUMJCMSA-N
XLogP9.19
TPSA166.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.85
LogP ≤ 59.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide with MolForge

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Related Compounds

6-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-benzimidazole-2-carboxamide
CID 90683900
N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15940464
N-[4-[5-[3-(dimethylamino)propoxy]-6-fluoro-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15941222
N-[4-[6-fluoro-5-(3-methoxypropoxy)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15941223
N-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15941224
N-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15941368
N-[(9R)-4-[6-fluoro-5-(3-methoxypropoxy)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 90933845
N-[(9R)-4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 91068934
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-[(9R)-4-[5-[3-(dimethylamino)propoxy]-6-fluoro-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 123425956
1-[4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide
CID 151468396
1-[4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]pyrrolo[2,3-b]pyridine-4-carboxamide
CID 152667766

Frequently Asked Questions

What is the IUPAC name of N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 91102614) is N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is COc1cc2nc(-c3cccc4c3-c3ccccc3[C@H]4NC(=O)c3cc4nc(-c5cccc6c5-c5ccccc5[C@H]6NC(=O)c5ccnc6[nH]ccc56)[nH]c4cn3)[nH]c2cc1F.
What is the InChIKey of N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is GRYHRTPALPTABQ-NDOUMJCMSA-N. The full InChI is InChI=1S/C49H32FN9O3/c1-62-40-22-37-35(20-34(40)50)54-46(56-37)32-14-7-13-31-42(32)25-9-3-5-11-27(25)44(31)59-49(61)38-21-36-39(23-53-38)57-47(55-36)33-15-6-12-30-41(33)24-8-2-4-10-26(24)43(30)58-48(60)29-17-19-52-45-28(29)16-18-51-45/h2-23,43-44H,1H3,(H,51,52)(H,54,56)(H,55,57)(H,58,60)(H,59,61)/t43-,44-/m1/s1.
What are the key properties of N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 813.85 g/mol, XLogP of 9.19, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-2-[(9R)-9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 91102614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).