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

C33H32F3N5O — CID 162557121

IUPACN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)c1ccccc1CCc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C33H32F3N5O/c34-33(35,36)29-10-2-1-8-25(29)14-13-24-7-5-9-26(23-24)30-11-6-12-31-38-32(39-41(30)31)37-27-15-17-28(18-16-27)42-22-21-40-19-3-4-20-40/h1-2,5-12,15-18,23H,3-4,13-14,19-22H2,(H,37,39)
InChIKeyZXOLFGNLYOJVGE-UHFFFAOYSA-N
MW571.65 g/mol
LogP7.42
Rot. Bonds10

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

N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 162557121) has the molecular formula C33H32F3N5O and a molecular weight of 571.65 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID162557121
Molecular FormulaC33H32F3N5O
Molecular Weight571.65 g/mol
Exact Mass571.26
IUPAC NameN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)c1ccccc1CCc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C33H32F3N5O/c34-33(35,36)29-10-2-1-8-25(29)14-13-24-7-5-9-26(23-24)30-11-6-12-31-38-32(39-41(30)31)37-27-15-17-28(18-16-27)42-22-21-40-19-3-4-20-40/h1-2,5-12,15-18,23H,3-4,13-14,19-22H2,(H,37,39)
InChIKeyZXOLFGNLYOJVGE-UHFFFAOYSA-N
XLogP7.42
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.65
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 162557121) is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is FC(F)(F)c1ccccc1CCc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.
What is the InChIKey of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ZXOLFGNLYOJVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N5O/c34-33(35,36)29-10-2-1-8-25(29)14-13-24-7-5-9-26(23-24)30-11-6-12-31-38-32(39-41(30)31)37-27-15-17-28(18-16-27)42-22-21-40-19-3-4-20-40/h1-2,5-12,15-18,23H,3-4,13-14,19-22H2,(H,37,39).
What are the key properties of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 571.65 g/mol, XLogP of 7.42, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 162557121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).