4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide

C26H22N6OS — CID 60604611

IUPAC4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide
SMILESCSc1nccn1-c1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C26H22N6OS/c1-34-26-28-15-16-31(26)22-9-7-20(8-10-22)25(33)29-17-21-18-32(23-5-3-2-4-6-23)30-24(21)19-11-13-27-14-12-19/h2-16,18H,17H2,1H3,(H,29,33)
InChIKeyDNWQJNMQHQJMOX-UHFFFAOYSA-N
MW466.57 g/mol
LogP4.77
Rot. Bonds7

About 4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide

4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide (PubChem CID 60604611) has the molecular formula C26H22N6OS and a molecular weight of 466.57 g/mol. Its IUPAC name is 4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide
PubChem CID60604611
Molecular FormulaC26H22N6OS
Molecular Weight466.57 g/mol
Exact Mass466.16
IUPAC Name4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide
SMILESCSc1nccn1-c1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C26H22N6OS/c1-34-26-28-15-16-31(26)22-9-7-20(8-10-22)25(33)29-17-21-18-32(23-5-3-2-4-6-23)30-24(21)19-11-13-27-14-12-19/h2-16,18H,17H2,1H3,(H,29,33)
InChIKeyDNWQJNMQHQJMOX-UHFFFAOYSA-N
XLogP4.77
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]isoquinoline-1-carboxamide
CID 52822334
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 119870904
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
(3S)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 52798075
1-[4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722952
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19288805
N-benzyl-4-[2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082227

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide (CID 60604611) is 4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide is CSc1nccn1-c1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of 4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide?
The InChIKey is DNWQJNMQHQJMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6OS/c1-34-26-28-15-16-31(26)22-9-7-20(8-10-22)25(33)29-17-21-18-32(23-5-3-2-4-6-23)30-24(21)19-11-13-27-14-12-19/h2-16,18H,17H2,1H3,(H,29,33).
What are the key properties of 4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide?
4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide has a molecular weight of 466.57 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 60604611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).