1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

C24H20Cl2N6O3 — CID 25115264

IUPAC1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4ccncc4)CC3)nc12
InChIInChI=1S/C24H20Cl2N6O3/c1-35-20-3-2-18(19(33)10-15-16(25)12-28-13-17(15)26)32-21(20)30-22(31-32)24(6-7-24)23(34)29-11-14-4-8-27-9-5-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,29,34)
InChIKeyQTIJSLZPMRPYHB-UHFFFAOYSA-N
MW511.37 g/mol
LogP3.61
Rot. Bonds8

About 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 25115264) has the molecular formula C24H20Cl2N6O3 and a molecular weight of 511.37 g/mol. Its IUPAC name is 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID25115264
Molecular FormulaC24H20Cl2N6O3
Molecular Weight511.37 g/mol
Exact Mass510.10
IUPAC Name1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4ccncc4)CC3)nc12
InChIInChI=1S/C24H20Cl2N6O3/c1-35-20-3-2-18(19(33)10-15-16(25)12-28-13-17(15)26)32-21(20)30-22(31-32)24(6-7-24)23(34)29-11-14-4-8-27-9-5-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,29,34)
InChIKeyQTIJSLZPMRPYHB-UHFFFAOYSA-N
XLogP3.61
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (CID 25115264) is 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4ccncc4)CC3)nc12.
What is the InChIKey of 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is QTIJSLZPMRPYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N6O3/c1-35-20-3-2-18(19(33)10-15-16(25)12-28-13-17(15)26)32-21(20)30-22(31-32)24(6-7-24)23(34)29-11-14-4-8-27-9-5-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,29,34).
What are the key properties of 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 511.37 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 25115264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).