7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide

C53H55F4N11O2 — CID 155427771

IUPAC7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1c[nH]c2c(C(C)C)cc(N3CC(CC(C)c4nc(N5CCCc6cc(-c7cnn(C)c7)c(C(F)F)cc65)cc5c(C(=O)NC)c[nH]c45)Cc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc12
InChIInChI=1S/C53H55F4N11O2/c1-27(2)35-15-34(16-38-42(52(69)58-4)22-60-48(35)38)68-24-29(12-31-14-37(33-21-63-66(7)26-33)41(51(56)57)18-45(31)68)11-28(3)47-49-39(43(23-61-49)53(70)59-5)19-46(64-47)67-10-8-9-30-13-36(32-20-62-65(6)25-32)40(50(54)55)17-44(30)67/h13-23,25-29,50-51,60-61H,8-12,24H2,1-7H3,(H,58,69)(H,59,70)
InChIKeyLENUHFCFQQJKPV-UHFFFAOYSA-N
MW954.09 g/mol
LogP11.15
Rot. Bonds12

About 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide

7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 155427771) has the molecular formula C53H55F4N11O2 and a molecular weight of 954.09 g/mol. Its IUPAC name is 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID155427771
Molecular FormulaC53H55F4N11O2
Molecular Weight954.09 g/mol
Exact Mass953.45
IUPAC Name7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1c[nH]c2c(C(C)C)cc(N3CC(CC(C)c4nc(N5CCCc6cc(-c7cnn(C)c7)c(C(F)F)cc65)cc5c(C(=O)NC)c[nH]c45)Cc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc12
InChIInChI=1S/C53H55F4N11O2/c1-27(2)35-15-34(16-38-42(52(69)58-4)22-60-48(35)38)68-24-29(12-31-14-37(33-21-63-66(7)26-33)41(51(56)57)18-45(31)68)11-28(3)47-49-39(43(23-61-49)53(70)59-5)19-46(64-47)67-10-8-9-30-13-36(32-20-62-65(6)25-32)40(50(54)55)17-44(30)67/h13-23,25-29,50-51,60-61H,8-12,24H2,1-7H3,(H,58,69)(H,59,70)
InChIKeyLENUHFCFQQJKPV-UHFFFAOYSA-N
XLogP11.15
TPSA144.79 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.09
LogP ≤ 511.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide (CID 155427771) is 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide is CNC(=O)c1c[nH]c2c(C(C)C)cc(N3CC(CC(C)c4nc(N5CCCc6cc(-c7cnn(C)c7)c(C(F)F)cc65)cc5c(C(=O)NC)c[nH]c45)Cc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc12.
What is the InChIKey of 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is LENUHFCFQQJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H55F4N11O2/c1-27(2)35-15-34(16-38-42(52(69)58-4)22-60-48(35)38)68-24-29(12-31-14-37(33-21-63-66(7)26-33)41(51(56)57)18-45(31)68)11-28(3)47-49-39(43(23-61-49)53(70)59-5)19-46(64-47)67-10-8-9-30-13-36(32-20-62-65(6)25-32)40(50(54)55)17-44(30)67/h13-23,25-29,50-51,60-61H,8-12,24H2,1-7H3,(H,58,69)(H,59,70).
What are the key properties of 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide?
7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 954.09 g/mol, XLogP of 11.15, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]propan-2-yl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155427771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).