4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

C26H25N5O3 — CID 58374626

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1
InChIInChI=1S/C26H25N5O3/c1-30(16-17-6-14-21(34-2)15-7-17)25(33)20-12-8-18(9-13-20)22-4-3-5-23-27-26(29-31(22)23)28-24(32)19-10-11-19/h3-9,12-15,19H,10-11,16H2,1-2H3,(H,28,29,32)
InChIKeyQSMYQIGLZBKXEY-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.03
Rot. Bonds7

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 58374626) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID58374626
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1
InChIInChI=1S/C26H25N5O3/c1-30(16-17-6-14-21(34-2)15-7-17)25(33)20-12-8-18(9-13-20)22-4-3-5-23-27-26(29-31(22)23)28-24(32)19-10-11-19/h3-9,12-15,19H,10-11,16H2,1-2H3,(H,28,29,32)
InChIKeyQSMYQIGLZBKXEY-UHFFFAOYSA-N
XLogP4.03
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (CID 58374626) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is QSMYQIGLZBKXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-30(16-17-6-14-21(34-2)15-7-17)25(33)20-12-8-18(9-13-20)22-4-3-5-23-27-26(29-31(22)23)28-24(32)19-10-11-19/h3-9,12-15,19H,10-11,16H2,1-2H3,(H,28,29,32).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 455.52 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 58374626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).