1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

C20H26N8O — CID 68837712

IUPAC1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(NC3CCN(C)CC3)n2n1
InChIInChI=1S/C20H26N8O/c1-3-22-20(29)25-19-24-18-12-15(14-5-4-8-21-13-14)11-17(28(18)26-19)23-16-6-9-27(2)10-7-16/h4-5,8,11-13,16,23H,3,6-7,9-10H2,1-2H3,(H2,22,25,26,29)
InChIKeyCLQXEOQALJTCGZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.44
Rot. Bonds5

About 1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (PubChem CID 68837712) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
PubChem CID68837712
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(NC3CCN(C)CC3)n2n1
InChIInChI=1S/C20H26N8O/c1-3-22-20(29)25-19-24-18-12-15(14-5-4-8-21-13-14)11-17(28(18)26-19)23-16-6-9-27(2)10-7-16/h4-5,8,11-13,16,23H,3,6-7,9-10H2,1-2H3,(H2,22,25,26,29)
InChIKeyCLQXEOQALJTCGZ-UHFFFAOYSA-N
XLogP2.44
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (CID 68837712) is 1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(NC3CCN(C)CC3)n2n1.
What is the InChIKey of 1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The InChIKey is CLQXEOQALJTCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-3-22-20(29)25-19-24-18-12-15(14-5-4-8-21-13-14)11-17(28(18)26-19)23-16-6-9-27(2)10-7-16/h4-5,8,11-13,16,23H,3,6-7,9-10H2,1-2H3,(H2,22,25,26,29).
What are the key properties of 1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea has a molecular weight of 394.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is sourced from PubChem (CID 68837712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).