1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide

C22H23N5O2 — CID 46832632

IUPAC1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(C#N)c2)n2nc(C3(C(=O)NCC(C)C)CC3)nc12
InChIInChI=1S/C22H23N5O2/c1-14(2)13-24-21(28)22(9-10-22)20-25-19-18(29-3)8-7-17(27(19)26-20)16-6-4-5-15(11-16)12-23/h4-8,11,14H,9-10,13H2,1-3H3,(H,24,28)
InChIKeySEXLOWRGGDSCFW-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.08
Rot. Bonds6

About 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide

1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 46832632) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID46832632
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(C#N)c2)n2nc(C3(C(=O)NCC(C)C)CC3)nc12
InChIInChI=1S/C22H23N5O2/c1-14(2)13-24-21(28)22(9-10-22)20-25-19-18(29-3)8-7-17(27(19)26-20)16-6-4-5-15(11-16)12-23/h4-8,11,14H,9-10,13H2,1-3H3,(H,24,28)
InChIKeySEXLOWRGGDSCFW-UHFFFAOYSA-N
XLogP3.08
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (CID 46832632) is 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is COc1ccc(-c2cccc(C#N)c2)n2nc(C3(C(=O)NCC(C)C)CC3)nc12.
What is the InChIKey of 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is SEXLOWRGGDSCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14(2)13-24-21(28)22(9-10-22)20-25-19-18(29-3)8-7-17(27(19)26-20)16-6-4-5-15(11-16)12-23/h4-8,11,14H,9-10,13H2,1-3H3,(H,24,28).
What are the key properties of 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 46832632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).