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1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea

C26H29N7O3 — CID 53234984

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccccc1Nc1nc2ccc(-c3cccc(NC(=O)NCCN4CCOCC4)c3)cn2n1
InChIInChI=1S/C26H29N7O3/c1-35-23-8-3-2-7-22(23)29-25-30-24-10-9-20(18-33(24)31-25)19-5-4-6-21(17-19)28-26(34)27-11-12-32-13-15-36-16-14-32/h2-10,17-18H,11-16H2,1H3,(H,29,31)(H2,27,28,34)
InChIKeyPLPQEDQEJGMAPL-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.60
Rot. Bonds8

About 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea

1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 53234984) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID53234984
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccccc1Nc1nc2ccc(-c3cccc(NC(=O)NCCN4CCOCC4)c3)cn2n1
InChIInChI=1S/C26H29N7O3/c1-35-23-8-3-2-7-22(23)29-25-30-24-10-9-20(18-33(24)31-25)19-5-4-6-21(17-19)28-26(34)27-11-12-32-13-15-36-16-14-32/h2-10,17-18H,11-16H2,1H3,(H,29,31)(H2,27,28,34)
InChIKeyPLPQEDQEJGMAPL-UHFFFAOYSA-N
XLogP3.60
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea (CID 53234984) is 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea is COc1ccccc1Nc1nc2ccc(-c3cccc(NC(=O)NCCN4CCOCC4)c3)cn2n1.
What is the InChIKey of 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is PLPQEDQEJGMAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-35-23-8-3-2-7-22(23)29-25-30-24-10-9-20(18-33(24)31-25)19-5-4-6-21(17-19)28-26(34)27-11-12-32-13-15-36-16-14-32/h2-10,17-18H,11-16H2,1H3,(H,29,31)(H2,27,28,34).
What are the key properties of 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea?
1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 487.56 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 53234984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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