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

C32H30F3N5O2 — CID 59589584

IUPACN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)c1ccccc1COc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C32H30F3N5O2/c33-32(34,35)28-10-2-1-7-24(28)22-42-27-9-5-8-23(21-27)29-11-6-12-30-37-31(38-40(29)30)36-25-13-15-26(16-14-25)41-20-19-39-17-3-4-18-39/h1-2,5-16,21H,3-4,17-20,22H2,(H,36,38)
InChIKeyOJYGUDGEYHZCMN-UHFFFAOYSA-N
MW573.62 g/mol
LogP7.21
Rot. Bonds10

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

N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589584) has the molecular formula C32H30F3N5O2 and a molecular weight of 573.62 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59589584
Molecular FormulaC32H30F3N5O2
Molecular Weight573.62 g/mol
Exact Mass573.24
IUPAC NameN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)c1ccccc1COc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C32H30F3N5O2/c33-32(34,35)28-10-2-1-7-24(28)22-42-27-9-5-8-23(21-27)29-11-6-12-30-37-31(38-40(29)30)36-25-13-15-26(16-14-25)41-20-19-39-17-3-4-18-39/h1-2,5-16,21H,3-4,17-20,22H2,(H,36,38)
InChIKeyOJYGUDGEYHZCMN-UHFFFAOYSA-N
XLogP7.21
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.62
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]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-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589584) is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]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-(trifluoromethyl)phenyl]methoxy]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-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is FC(F)(F)c1ccccc1COc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.
What is the InChIKey of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OJYGUDGEYHZCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N5O2/c33-32(34,35)28-10-2-1-7-24(28)22-42-27-9-5-8-23(21-27)29-11-6-12-30-37-31(38-40(29)30)36-25-13-15-26(16-14-25)41-20-19-39-17-3-4-18-39/h1-2,5-16,21H,3-4,17-20,22H2,(H,36,38).
What are the key properties of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 573.62 g/mol, XLogP of 7.21, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).