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

C34H29F3N6O6 — CID 166041473

IUPACN-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCOc1ccccc1N1CC(NC(=O)c2n[nH]c3cc(-c4cnc(OC)c(C(=O)NCc5ccccc5OC(F)(F)F)c4)ccc23)CC1=O
InChIInChI=1S/C34H29F3N6O6/c1-47-28-10-6-4-8-26(28)43-18-22(15-29(43)44)40-32(46)30-23-12-11-19(14-25(23)41-42-30)21-13-24(33(48-2)39-17-21)31(45)38-16-20-7-3-5-9-27(20)49-34(35,36)37/h3-14,17,22H,15-16,18H2,1-2H3,(H,38,45)(H,40,46)(H,41,42)
InChIKeyBDSVJVYVIKPMJI-UHFFFAOYSA-N
MW674.64 g/mol
LogP5.01
Rot. Bonds10

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

N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 166041473) has the molecular formula C34H29F3N6O6 and a molecular weight of 674.64 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID166041473
Molecular FormulaC34H29F3N6O6
Molecular Weight674.64 g/mol
Exact Mass674.21
IUPAC NameN-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCOc1ccccc1N1CC(NC(=O)c2n[nH]c3cc(-c4cnc(OC)c(C(=O)NCc5ccccc5OC(F)(F)F)c4)ccc23)CC1=O
InChIInChI=1S/C34H29F3N6O6/c1-47-28-10-6-4-8-26(28)43-18-22(15-29(43)44)40-32(46)30-23-12-11-19(14-25(23)41-42-30)21-13-24(33(48-2)39-17-21)31(45)38-16-20-7-3-5-9-27(20)49-34(35,36)37/h3-14,17,22H,15-16,18H2,1-2H3,(H,38,45)(H,40,46)(H,41,42)
InChIKeyBDSVJVYVIKPMJI-UHFFFAOYSA-N
XLogP5.01
TPSA147.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.64
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 166041441
6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041334
6-[6-methoxy-5-[[2-(2-methylpropoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041487
N-propan-2-yl-6-[6-(trideuteriomethoxy)-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041428
N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 175664738
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
N-[(2-methylphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077939
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99937887
3-[[5-[3-(deuteriomethylcarbamoyl)-1H-indazol-6-yl]-2-methoxypyridine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 175819792
N-(cyclopropylmethyl)-6-[6-(deuteriomethoxy)-5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041322
tert-butyl 3-[[5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-2-(trideuteriomethoxy)pyridine-3-carbonyl]amino]propanoate
CID 175664700

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 166041473) is N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide is COc1ccccc1N1CC(NC(=O)c2n[nH]c3cc(-c4cnc(OC)c(C(=O)NCc5ccccc5OC(F)(F)F)c4)ccc23)CC1=O.
What is the InChIKey of N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is BDSVJVYVIKPMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F3N6O6/c1-47-28-10-6-4-8-26(28)43-18-22(15-29(43)44)40-32(46)30-23-12-11-19(14-25(23)41-42-30)21-13-24(33(48-2)39-17-21)31(45)38-16-20-7-3-5-9-27(20)49-34(35,36)37/h3-14,17,22H,15-16,18H2,1-2H3,(H,38,45)(H,40,46)(H,41,42).
What are the key properties of N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 674.64 g/mol, XLogP of 5.01, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166041473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).