N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C75H98FN15O19 — CID 167168518

IUPACN-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)Nc3ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nc(NC(=O)CCN)cn6C)cn5C)cn4C)cc3)cc12
InChIInChI=1S/C75H98FN15O19/c1-48-39-51(76)40-49(2)67(48)110-60-14-9-50(75(3,4)100)41-55(60)57-45-91(8)74(99)66-56(57)43-58(83-66)70(95)81-52-10-12-54(13-11-52)109-38-37-108-36-35-107-34-33-106-32-31-105-30-29-104-28-27-103-26-25-102-24-23-101-22-21-78-63(92)16-19-80-72(97)68-86-62(46-89(68)6)85-65(94)17-20-79-71(96)59-42-53(44-88(59)5)82-73(98)69-87-61(47-90(69)7)84-64(93)15-18-77/h9-14,39-47,83,100H,15-38,77H2,1-8H3,(H,78,92)(H,79,96)(H,80,97)(H,81,95)(H,82,98)(H,84,93)(H,85,94)
InChIKeyIDGSGIGRTPCFIP-UHFFFAOYSA-N
MW1532.69 g/mol
LogP5.11
Rot. Bonds48

About N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167168518) has the molecular formula C75H98FN15O19 and a molecular weight of 1532.69 g/mol. Its IUPAC name is N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167168518
Molecular FormulaC75H98FN15O19
Molecular Weight1532.69 g/mol
Exact Mass1531.71
IUPAC NameN-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)Nc3ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nc(NC(=O)CCN)cn6C)cn5C)cn4C)cc3)cc12
InChIInChI=1S/C75H98FN15O19/c1-48-39-51(76)40-49(2)67(48)110-60-14-9-50(75(3,4)100)41-55(60)57-45-91(8)74(99)66-56(57)43-58(83-66)70(95)81-52-10-12-54(13-11-52)109-38-37-108-36-35-107-34-33-106-32-31-105-30-29-104-28-27-103-26-25-102-24-23-101-22-21-78-63(92)16-19-80-72(97)68-86-62(46-89(68)6)85-65(94)17-20-79-71(96)59-42-53(44-88(59)5)82-73(98)69-87-61(47-90(69)7)84-64(93)15-18-77/h9-14,39-47,83,100H,15-38,77H2,1-8H3,(H,78,92)(H,79,96)(H,80,97)(H,81,95)(H,82,98)(H,84,93)(H,85,94)
InChIKeyIDGSGIGRTPCFIP-UHFFFAOYSA-N
XLogP5.11
TPSA420.61 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds48
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001532.69
LogP ≤ 55.11
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167168518) is N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)Nc3ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)c4nc(NC(=O)CCNC(=O)c5cc(NC(=O)c6nc(NC(=O)CCN)cn6C)cn5C)cn4C)cc3)cc12.
What is the InChIKey of N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IDGSGIGRTPCFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H98FN15O19/c1-48-39-51(76)40-49(2)67(48)110-60-14-9-50(75(3,4)100)41-55(60)57-45-91(8)74(99)66-56(57)43-58(83-66)70(95)81-52-10-12-54(13-11-52)109-38-37-108-36-35-107-34-33-106-32-31-105-30-29-104-28-27-103-26-25-102-24-23-101-22-21-78-63(92)16-19-80-72(97)68-86-62(46-89(68)6)85-65(94)17-20-79-71(96)59-42-53(44-88(59)5)82-73(98)69-87-61(47-90(69)7)84-64(93)15-18-77/h9-14,39-47,83,100H,15-38,77H2,1-8H3,(H,78,92)(H,79,96)(H,80,97)(H,81,95)(H,82,98)(H,84,93)(H,85,94).
What are the key properties of N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 1532.69 g/mol, XLogP of 5.11, 48 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-[3-[[4-[[4-(3-aminopropanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylimidazole-2-carbonyl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167168518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).