5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C32H33N5O2 — CID 59589957

IUPAC5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccccc1COc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C32H33N5O2/c1-24-8-2-3-9-26(24)23-39-29-11-6-10-25(22-29)30-12-7-13-31-34-32(35-37(30)31)33-27-14-16-28(17-15-27)38-21-20-36-18-4-5-19-36/h2-3,6-17,22H,4-5,18-21,23H2,1H3,(H,33,35)
InChIKeyOCJDGLIIVCIBRJ-UHFFFAOYSA-N
MW519.65 g/mol
LogP6.50
Rot. Bonds10

About 5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589957) has the molecular formula C32H33N5O2 and a molecular weight of 519.65 g/mol. Its IUPAC name is 5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59589957
Molecular FormulaC32H33N5O2
Molecular Weight519.65 g/mol
Exact Mass519.26
IUPAC Name5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccccc1COc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C32H33N5O2/c1-24-8-2-3-9-26(24)23-39-29-11-6-10-25(22-29)30-12-7-13-31-34-32(35-37(30)31)33-27-14-16-28(17-15-27)38-21-20-36-18-4-5-19-36/h2-3,6-17,22H,4-5,18-21,23H2,1H3,(H,33,35)
InChIKeyOCJDGLIIVCIBRJ-UHFFFAOYSA-N
XLogP6.50
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589957) is 5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccccc1COc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.
What is the InChIKey of 5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OCJDGLIIVCIBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O2/c1-24-8-2-3-9-26(24)23-39-29-11-6-10-25(22-29)30-12-7-13-31-34-32(35-37(30)31)33-27-14-16-28(17-15-27)38-21-20-36-18-4-5-19-36/h2-3,6-17,22H,4-5,18-21,23H2,1H3,(H,33,35).
What are the key properties of 5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 519.65 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).