N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C24H23ClN6O2 — CID 72943559

IUPACN-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nnn3c2CCCC3c2ccc(Cl)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23ClN6O2/c1-15-13-30(14-26-15)20-11-8-17(12-22(20)33-2)24(32)27-23-21-5-3-4-19(31(21)29-28-23)16-6-9-18(25)10-7-16/h6-14,19H,3-5H2,1-2H3,(H,27,32)
InChIKeyDGJNOVCJOJUIMR-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.61
Rot. Bonds5

About N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 72943559) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID72943559
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC NameN-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nnn3c2CCCC3c2ccc(Cl)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23ClN6O2/c1-15-13-30(14-26-15)20-11-8-17(12-22(20)33-2)24(32)27-23-21-5-3-4-19(31(21)29-28-23)16-6-9-18(25)10-7-16/h6-14,19H,3-5H2,1-2H3,(H,27,32)
InChIKeyDGJNOVCJOJUIMR-UHFFFAOYSA-N
XLogP4.61
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[7-(3,4-dichlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 72943561
7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide
CID 72944891
1-[(6R)-6-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazol-3-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethanone
CID 158370172
N-[6-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazol-3-yl]-3-methoxy-4-(5-methyl-3-pyridinyl)benzamide
CID 118199696
(5R)-5-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299690
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
N-[1-[(4-chlorophenyl)methyl]-5-hydroxypiperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 52936019
3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 66790742
5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one
CID 58375688
3-methoxy-4-(4-methylimidazol-1-yl)-N-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzamide
CID 46899010
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(1Z)-8-methyl-4-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-triazonin-9-yl]benzamide
CID 123251724
(1R,3Z,6S,8aR)-6-(4-chlorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 59317665

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 72943559) is N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)Nc2nnn3c2CCCC3c2ccc(Cl)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is DGJNOVCJOJUIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-15-13-30(14-26-15)20-11-8-17(12-22(20)33-2)24(32)27-23-21-5-3-4-19(31(21)29-28-23)16-6-9-18(25)10-7-16/h6-14,19H,3-5H2,1-2H3,(H,27,32).
What are the key properties of N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 462.94 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-chlorophenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 72943559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).