3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C19H20N6O — CID 91947424

IUPAC3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCc1cccc2c1cnn2CCC(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C19H20N6O/c1-14-5-4-6-16-15(14)13-21-25(16)12-9-19(26)20-10-8-18-23-22-17-7-2-3-11-24(17)18/h2-7,11,13H,8-10,12H2,1H3,(H,20,26)
InChIKeyIHPNLNLBTVRKMO-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.14
Rot. Bonds6

About 3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 91947424) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID91947424
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCc1cccc2c1cnn2CCC(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C19H20N6O/c1-14-5-4-6-16-15(14)13-21-25(16)12-9-19(26)20-10-8-18-23-22-17-7-2-3-11-24(17)18/h2-7,11,13H,8-10,12H2,1H3,(H,20,26)
InChIKeyIHPNLNLBTVRKMO-UHFFFAOYSA-N
XLogP2.14
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 91947424) is 3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is Cc1cccc2c1cnn2CCC(=O)NCCc1nnc2ccccn12.
What is the InChIKey of 3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is IHPNLNLBTVRKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-14-5-4-6-16-15(14)13-21-25(16)12-9-19(26)20-10-8-18-23-22-17-7-2-3-11-24(17)18/h2-7,11,13H,8-10,12H2,1H3,(H,20,26).
What are the key properties of 3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 348.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylindazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 91947424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).