methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate

C29H20N6O3 — CID 15941369

IUPACmethyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2nc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)[nH]c2cn1
InChIInChI=1S/C29H20N6O3/c1-38-29(37)22-13-21-23(14-32-22)34-27(33-21)20-8-4-7-19-24(20)15-5-2-3-6-16(15)25(19)35-28(36)18-10-12-31-26-17(18)9-11-30-26/h2-14,25H,1H3,(H,30,31)(H,33,34)(H,35,36)
InChIKeyVFVKDUPKRVYDCA-UHFFFAOYSA-N
MW500.52 g/mol
LogP4.79
Rot. Bonds4

About methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate

methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 15941369) has the molecular formula C29H20N6O3 and a molecular weight of 500.52 g/mol. Its IUPAC name is methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID15941369
Molecular FormulaC29H20N6O3
Molecular Weight500.52 g/mol
Exact Mass500.16
IUPAC Namemethyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2nc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)[nH]c2cn1
InChIInChI=1S/C29H20N6O3/c1-38-29(37)22-13-21-23(14-32-22)34-27(33-21)20-8-4-7-19-24(20)15-5-2-3-6-16(15)25(19)35-28(36)18-10-12-31-26-17(18)9-11-30-26/h2-14,25H,1H3,(H,30,31)(H,33,34)(H,35,36)
InChIKeyVFVKDUPKRVYDCA-UHFFFAOYSA-N
XLogP4.79
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.52
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-H-Pyrrolo[2,3-B]pyridine-4-Carboxylic Acid [4-(3h-Imidazo[4,5-C]pyridin-2-Yl)-9h-Fluoren-9-Yl]-Amide
CID 53389265
5-[[[2-methyl-5-[[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylicacid,methylester
CID 68796885
Methyl 5-[2-[5-(4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamido)-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 58564713
Methyl 5-[5-(4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamido)-2-methylbenzamido]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 68799169
methyl 5-[[5-(1H-indole-5-carbonylamino)-2-methylphenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76900625
methyl 5-[[2-methyl-5-[(5-methylpyridine-3-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903275
methyl 5-[[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903460
methyl 5-[[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 89891769
Azaindole derivative 2
CID 76903081
methyl 5-(5-(4-((4-methylpiperazin-1-yl)methyl)benzamido)-2-methyl-benzylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 68796684
methyl 5-(5-(4-((4-methylpiperazin-1-yl)methyl)benzamido)-2-methylbenzamido)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 70866057
US8785489, ethyl 5-{4-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]-1H-imidazol-5-yl}-1H-indole-2-carboxylate
CID 45377002

Frequently Asked Questions

What is the IUPAC name of methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate (CID 15941369) is methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)c1cc2nc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)[nH]c2cn1.
What is the InChIKey of methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is VFVKDUPKRVYDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N6O3/c1-38-29(37)22-13-21-23(14-32-22)34-27(33-21)20-8-4-7-19-24(20)15-5-2-3-6-16(15)25(19)35-28(36)18-10-12-31-26-17(18)9-11-30-26/h2-14,25H,1H3,(H,30,31)(H,33,34)(H,35,36).
What are the key properties of methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 500.52 g/mol, XLogP of 4.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 15941369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).