N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C26H22N4O3S — CID 38628597

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1OCc1ccncc1
InChIInChI=1S/C26H22N4O3S/c1-17-21-15-24(34-26(21)30(29-17)20-6-4-3-5-7-20)25(31)28-19-8-9-22(32-2)23(14-19)33-16-18-10-12-27-13-11-18/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyVKVOWFNKEYTUMU-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.63
Rot. Bonds7

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 38628597) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID38628597
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1OCc1ccncc1
InChIInChI=1S/C26H22N4O3S/c1-17-21-15-24(34-26(21)30(29-17)20-6-4-3-5-7-20)25(31)28-19-8-9-22(32-2)23(14-19)33-16-18-10-12-27-13-11-18/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyVKVOWFNKEYTUMU-UHFFFAOYSA-N
XLogP5.63
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 33125978
N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 42091924
methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781823
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 71897013
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43068303
N-(3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2005840
N-(3-cyanophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2341628
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55577361
N-(2-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 3350386
3-methyl-1-phenyl-N-(3-sulfamoylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9413201

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 38628597) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1OCc1ccncc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is VKVOWFNKEYTUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c1-17-21-15-24(34-26(21)30(29-17)20-6-4-3-5-7-20)25(31)28-19-8-9-22(32-2)23(14-19)33-16-18-10-12-27-13-11-18/h3-15H,16H2,1-2H3,(H,28,31).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 38628597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).