4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide

C30H31F3N6O7S — CID 177031504

IUPAC4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)c(NC(=O)c2c(OC)ccnc2NC23CC(N4CCOCC4)(C2)C3)cn1
InChIInChI=1S/C30H31F3N6O7S/c1-44-22-6-7-34-25(38-28-15-29(16-28,17-28)39-8-10-46-11-9-39)24(22)27(41)37-21-14-35-23(45-2)13-20(21)26(40)36-18-4-3-5-19(12-18)47(42,43)30(31,32)33/h3-7,12-14H,8-11,15-17H2,1-2H3,(H,34,38)(H,36,40)(H,37,41)
InChIKeyWXTJNSGHIYLPSI-UHFFFAOYSA-N
MW676.67 g/mol
LogP3.71
Rot. Bonds10

About 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide

4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide (PubChem CID 177031504) has the molecular formula C30H31F3N6O7S and a molecular weight of 676.67 g/mol. Its IUPAC name is 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide
PubChem CID177031504
Molecular FormulaC30H31F3N6O7S
Molecular Weight676.67 g/mol
Exact Mass676.19
IUPAC Name4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)c(NC(=O)c2c(OC)ccnc2NC23CC(N4CCOCC4)(C2)C3)cn1
InChIInChI=1S/C30H31F3N6O7S/c1-44-22-6-7-34-25(38-28-15-29(16-28,17-28)39-8-10-46-11-9-39)24(22)27(41)37-21-14-35-23(45-2)13-20(21)26(40)36-18-4-3-5-19(12-18)47(42,43)30(31,32)33/h3-7,12-14H,8-11,15-17H2,1-2H3,(H,34,38)(H,36,40)(H,37,41)
InChIKeyWXTJNSGHIYLPSI-UHFFFAOYSA-N
XLogP3.71
TPSA161.08 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.67
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide
CID 177031489
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-6-methoxy-3-pyridinyl]-4-(2,2-difluoroethoxy)-6-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyrimidine-5-carboxamide
CID 177031629
2-amino-N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxypyridine-3-carboxamide
CID 177031583
6-ethynyl-N-[4-fluoro-2-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]phenyl]-4-methoxypyridine-3-carboxamide
CID 169487959
4-methoxy-6-[[(2S)-4-morpholin-4-yl-2-bicyclo[2.1.1]hexanyl]amino]-N-[(1S,2R,3S,4R)-3-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]pyrimidine-5-carboxamide
CID 177031571
2-amino-N-[2,2-difluoro-6-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]-1,3-benzodioxol-5-yl]-4-methoxypyridine-3-carboxamide;cyclohexane;methyl formate
CID 178008816
3-methoxy-N-(3-sulfamoylphenyl)pyridine-4-carboxamide
CID 105064331
2-[4-(6-morpholin-4-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 148670074
3-[[6-methoxy-5-[[2-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]phenyl]carbamoyl]pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 177031603
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
6-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27283385
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide (CID 177031504) is 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide is COc1cc(C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)c(NC(=O)c2c(OC)ccnc2NC23CC(N4CCOCC4)(C2)C3)cn1.
What is the InChIKey of 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide?
The InChIKey is WXTJNSGHIYLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N6O7S/c1-44-22-6-7-34-25(38-28-15-29(16-28,17-28)39-8-10-46-11-9-39)24(22)27(41)37-21-14-35-23(45-2)13-20(21)26(40)36-18-4-3-5-19(12-18)47(42,43)30(31,32)33/h3-7,12-14H,8-11,15-17H2,1-2H3,(H,34,38)(H,36,40)(H,37,41).
What are the key properties of 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide?
4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide has a molecular weight of 676.67 g/mol, XLogP of 3.71, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 177031504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).