N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H22F3N7 — CID 68777376

IUPACN-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)c1ccc(-c2cccn3nc(Nc4cnn(CCN5CCCC5)c4)nc23)cc1
InChIInChI=1S/C22H22F3N7/c23-22(24,25)17-7-5-16(6-8-17)19-4-3-11-32-20(19)28-21(29-32)27-18-14-26-31(15-18)13-12-30-9-1-2-10-30/h3-8,11,14-15H,1-2,9-10,12-13H2,(H,27,29)
InChIKeyYZWGCTDUFHWNEB-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 68777376) has the molecular formula C22H22F3N7 and a molecular weight of 441.46 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID68777376
Molecular FormulaC22H22F3N7
Molecular Weight441.46 g/mol
Exact Mass441.19
IUPAC NameN-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)(F)c1ccc(-c2cccn3nc(Nc4cnn(CCN5CCCC5)c4)nc23)cc1
InChIInChI=1S/C22H22F3N7/c23-22(24,25)17-7-5-16(6-8-17)19-4-3-11-32-20(19)28-21(29-32)27-18-14-26-31(15-18)13-12-30-9-1-2-10-30/h3-8,11,14-15H,1-2,9-10,12-13H2,(H,27,29)
InChIKeyYZWGCTDUFHWNEB-UHFFFAOYSA-N
XLogP4.45
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 68777376) is N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is FC(F)(F)c1ccc(-c2cccn3nc(Nc4cnn(CCN5CCCC5)c4)nc23)cc1.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YZWGCTDUFHWNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7/c23-22(24,25)17-7-5-16(6-8-17)19-4-3-11-32-20(19)28-21(29-32)27-18-14-26-31(15-18)13-12-30-9-1-2-10-30/h3-8,11,14-15H,1-2,9-10,12-13H2,(H,27,29).
What are the key properties of N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 441.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 68777376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).