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

C21H21Cl2N5O3 — CID 25115038

IUPAC1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(c2nc3c(OC)ccc(C(=O)Cc4c(Cl)cncc4Cl)n3n2)CC1
InChIInChI=1S/C21H21Cl2N5O3/c1-3-8-25-20(30)21(6-7-21)19-26-18-17(31-2)5-4-15(28(18)27-19)16(29)9-12-13(22)10-24-11-14(12)23/h4-5,10-11H,3,6-9H2,1-2H3,(H,25,30)
InChIKeyBXWARFIULIATIE-UHFFFAOYSA-N
MW462.34 g/mol
LogP3.42
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-propylcyclopropane-1-carboxamide

1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-propylcyclopropane-1-carboxamide (PubChem CID 25115038) has the molecular formula C21H21Cl2N5O3 and a molecular weight of 462.34 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-propylcyclopropane-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-propylcyclopropane-1-carboxamide
PubChem CID25115038
Molecular FormulaC21H21Cl2N5O3
Molecular Weight462.34 g/mol
Exact Mass461.10
IUPAC Name1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(c2nc3c(OC)ccc(C(=O)Cc4c(Cl)cncc4Cl)n3n2)CC1
InChIInChI=1S/C21H21Cl2N5O3/c1-3-8-25-20(30)21(6-7-21)19-26-18-17(31-2)5-4-15(28(18)27-19)16(29)9-12-13(22)10-24-11-14(12)23/h4-5,10-11H,3,6-9H2,1-2H3,(H,25,30)
InChIKeyBXWARFIULIATIE-UHFFFAOYSA-N
XLogP3.42
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-propylcyclopropane-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-propylcyclopropane-1-carboxamide (CID 25115038) is 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-propylcyclopropane-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-propylcyclopropane-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-propylcyclopropane-1-carboxamide is CCCNC(=O)C1(c2nc3c(OC)ccc(C(=O)Cc4c(Cl)cncc4Cl)n3n2)CC1.
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-propylcyclopropane-1-carboxamide?
The InChIKey is BXWARFIULIATIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O3/c1-3-8-25-20(30)21(6-7-21)19-26-18-17(31-2)5-4-15(28(18)27-19)16(29)9-12-13(22)10-24-11-14(12)23/h4-5,10-11H,3,6-9H2,1-2H3,(H,25,30).
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-propylcyclopropane-1-carboxamide?
1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-propylcyclopropane-1-carboxamide has a molecular weight of 462.34 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 25115038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).