N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide

C33H34N6O3 — CID 59589614

IUPACN-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide
SMILESCC(Oc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C33H34N6O3/c1-24(32(40)34-26-10-3-2-4-11-26)42-29-12-7-9-25(23-29)30-13-8-14-31-36-33(37-39(30)31)35-27-15-17-28(18-16-27)41-22-21-38-19-5-6-20-38/h2-4,7-18,23-24H,5-6,19-22H2,1H3,(H,34,40)(H,35,37)
InChIKeyCLMOLIZSYXJDSO-UHFFFAOYSA-N
MW562.67 g/mol
LogP6.02
Rot. Bonds11

About N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide

N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide (PubChem CID 59589614) has the molecular formula C33H34N6O3 and a molecular weight of 562.67 g/mol. Its IUPAC name is N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide.

Molecular Properties

Compound NameN-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide
PubChem CID59589614
Molecular FormulaC33H34N6O3
Molecular Weight562.67 g/mol
Exact Mass562.27
IUPAC NameN-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide
SMILESCC(Oc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C33H34N6O3/c1-24(32(40)34-26-10-3-2-4-11-26)42-29-12-7-9-25(23-29)30-13-8-14-31-36-33(37-39(30)31)35-27-15-17-28(18-16-27)41-22-21-38-19-5-6-20-38/h2-4,7-18,23-24H,5-6,19-22H2,1H3,(H,34,40)(H,35,37)
InChIKeyCLMOLIZSYXJDSO-UHFFFAOYSA-N
XLogP6.02
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide 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 N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide?
The IUPAC name of N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide (CID 59589614) is N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide.
What is the SMILES notation for N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide?
The canonical SMILES for N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide is CC(Oc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide?
The InChIKey is CLMOLIZSYXJDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O3/c1-24(32(40)34-26-10-3-2-4-11-26)42-29-12-7-9-25(23-29)30-13-8-14-31-36-33(37-39(30)31)35-27-15-17-28(18-16-27)41-22-21-38-19-5-6-20-38/h2-4,7-18,23-24H,5-6,19-22H2,1H3,(H,34,40)(H,35,37).
What are the key properties of N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide?
N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide has a molecular weight of 562.67 g/mol, XLogP of 6.02, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide is sourced from PubChem (CID 59589614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).