5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C27H31N5O2 — CID 59589756

IUPAC5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC[C@@H](COc1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1)N1CCCC1
InChIInChI=1S/C27H31N5O2/c1-3-22(31-17-4-5-18-31)19-34-24-15-11-21(12-16-24)28-27-29-26-8-6-7-25(32(26)30-27)20-9-13-23(33-2)14-10-20/h6-16,22H,3-5,17-19H2,1-2H3,(H,28,30)/t22-/m0/s1
InChIKeyQNHOUBBZDHGYNX-QFIPXVFZSA-N
MW457.58 g/mol
LogP5.40
Rot. Bonds9

About 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589756) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59589756
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC[C@@H](COc1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1)N1CCCC1
InChIInChI=1S/C27H31N5O2/c1-3-22(31-17-4-5-18-31)19-34-24-15-11-21(12-16-24)28-27-29-26-8-6-7-25(32(26)30-27)20-9-13-23(33-2)14-10-20/h6-16,22H,3-5,17-19H2,1-2H3,(H,28,30)/t22-/m0/s1
InChIKeyQNHOUBBZDHGYNX-QFIPXVFZSA-N
XLogP5.40
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589756) is 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC[C@@H](COc1ccc(Nc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1)N1CCCC1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is QNHOUBBZDHGYNX-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-3-22(31-17-4-5-18-31)19-34-24-15-11-21(12-16-24)28-27-29-26-8-6-7-25(32(26)30-27)20-9-13-23(33-2)14-10-20/h6-16,22H,3-5,17-19H2,1-2H3,(H,28,30)/t22-/m0/s1.
What are the key properties of 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 457.58 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[4-[(2S)-2-pyrrolidin-1-ylbutoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).