4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid

C26H24N6O4 — CID 160687391

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid
SMILESO=C(Nc1cccnc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=C(O)C1CC1
InChIInChI=1S/C22H18N6O2.C4H6O2/c29-20(24-17-3-2-12-23-13-17)15-8-6-14(7-9-15)18-4-1-5-19-25-22(27-28(18)19)26-21(30)16-10-11-16;5-4(6)3-1-2-3/h1-9,12-13,16H,10-11H2,(H,24,29)(H,26,27,30);3H,1-2H2,(H,5,6)
InChIKeyROYFKEDRYBDJIM-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.87
Rot. Bonds6

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid (PubChem CID 160687391) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid
PubChem CID160687391
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid
SMILESO=C(Nc1cccnc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=C(O)C1CC1
InChIInChI=1S/C22H18N6O2.C4H6O2/c29-20(24-17-3-2-12-23-13-17)15-8-6-14(7-9-15)18-4-1-5-19-25-22(27-28(18)19)26-21(30)16-10-11-16;5-4(6)3-1-2-3/h1-9,12-13,16H,10-11H2,(H,24,29)(H,26,27,30);3H,1-2H2,(H,5,6)
InChIKeyROYFKEDRYBDJIM-UHFFFAOYSA-N
XLogP3.87
TPSA138.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 58374586
N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
N-[5-[6-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 90106241
[5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90107603
N-[5-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589894
N-[5-[4-(4-methylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44625289
N-[5-[4-[1-[4-(azepane-1-carbonyl)phenyl]-2-(azepan-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 90106698
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide
CID 70822391
1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide
CID 67328746
N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 135894059
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 44626155

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid (CID 160687391) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid is O=C(Nc1cccnc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=C(O)C1CC1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid?
The InChIKey is ROYFKEDRYBDJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2.C4H6O2/c29-20(24-17-3-2-12-23-13-17)15-8-6-14(7-9-15)18-4-1-5-19-25-22(27-28(18)19)26-21(30)16-10-11-16;5-4(6)3-1-2-3/h1-9,12-13,16H,10-11H2,(H,24,29)(H,26,27,30);3H,1-2H2,(H,5,6).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid has a molecular weight of 484.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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-pyridin-3-ylbenzamide;cyclopropanecarboxylic acid is sourced from PubChem (CID 160687391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).