6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide

C30H29F3N6O5 — CID 166041441

IUPAC6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide
SMILESCOc1ncc(-c2ccc3c(C(=O)NCCCN4CCCC4=O)n[nH]c3c2)cc1C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C30H29F3N6O5/c1-43-29-22(27(41)35-16-19-6-2-3-7-24(19)44-30(31,32)33)14-20(17-36-29)18-9-10-21-23(15-18)37-38-26(21)28(42)34-11-5-13-39-12-4-8-25(39)40/h2-3,6-7,9-10,14-15,17H,4-5,8,11-13,16H2,1H3,(H,34,42)(H,35,41)(H,37,38)
InChIKeyPZOOUIFTXBVHHE-UHFFFAOYSA-N
MW610.59 g/mol
LogP4.20
Rot. Bonds11

About 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide

6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide (PubChem CID 166041441) has the molecular formula C30H29F3N6O5 and a molecular weight of 610.59 g/mol. Its IUPAC name is 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide
PubChem CID166041441
Molecular FormulaC30H29F3N6O5
Molecular Weight610.59 g/mol
Exact Mass610.22
IUPAC Name6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide
SMILESCOc1ncc(-c2ccc3c(C(=O)NCCCN4CCCC4=O)n[nH]c3c2)cc1C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C30H29F3N6O5/c1-43-29-22(27(41)35-16-19-6-2-3-7-24(19)44-30(31,32)33)14-20(17-36-29)18-9-10-21-23(15-18)37-38-26(21)28(42)34-11-5-13-39-12-4-8-25(39)40/h2-3,6-7,9-10,14-15,17H,4-5,8,11-13,16H2,1H3,(H,34,42)(H,35,41)(H,37,38)
InChIKeyPZOOUIFTXBVHHE-UHFFFAOYSA-N
XLogP4.20
TPSA138.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.59
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041473
6-[6-methoxy-5-[[2-(2-methylpropoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041487
6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041334
N-propan-2-yl-6-[6-(trideuteriomethoxy)-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041428
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 142581016
2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 155074290
3-[[5-[3-(deuteriomethylcarbamoyl)-1H-indazol-6-yl]-2-methoxypyridine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 175819792
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077939
2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 78777512
tert-butyl 3-[[5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-2-(trideuteriomethoxy)pyridine-3-carbonyl]amino]propanoate
CID 175664700
2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
CID 117083693

Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide (CID 166041441) is 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide is COc1ncc(-c2ccc3c(C(=O)NCCCN4CCCC4=O)n[nH]c3c2)cc1C(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide?
The InChIKey is PZOOUIFTXBVHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N6O5/c1-43-29-22(27(41)35-16-19-6-2-3-7-24(19)44-30(31,32)33)14-20(17-36-29)18-9-10-21-23(15-18)37-38-26(21)28(42)34-11-5-13-39-12-4-8-25(39)40/h2-3,6-7,9-10,14-15,17H,4-5,8,11-13,16H2,1H3,(H,34,42)(H,35,41)(H,37,38).
What are the key properties of 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide?
6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide has a molecular weight of 610.59 g/mol, XLogP of 4.20, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166041441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).