N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H21F2N7O — CID 70929676

IUPACN-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)n1cc(Nc2nc3c(-c4ccc(CN5CCOCC5)cc4)cccn3n2)cn1
InChIInChI=1S/C21H21F2N7O/c22-20(23)30-14-17(12-24-30)25-21-26-19-18(2-1-7-29(19)27-21)16-5-3-15(4-6-16)13-28-8-10-31-11-9-28/h1-7,12,14,20H,8-11,13H2,(H,25,27)
InChIKeyIPMYWJLHKUNZOV-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.56
Rot. Bonds6

About N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70929676) has the molecular formula C21H21F2N7O and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70929676
Molecular FormulaC21H21F2N7O
Molecular Weight425.44 g/mol
Exact Mass425.18
IUPAC NameN-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFC(F)n1cc(Nc2nc3c(-c4ccc(CN5CCOCC5)cc4)cccn3n2)cn1
InChIInChI=1S/C21H21F2N7O/c22-20(23)30-14-17(12-24-30)25-21-26-19-18(2-1-7-29(19)27-21)16-5-3-15(4-6-16)13-28-8-10-31-11-9-28/h1-7,12,14,20H,8-11,13H2,(H,25,27)
InChIKeyIPMYWJLHKUNZOV-UHFFFAOYSA-N
XLogP3.56
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70929676) is N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is FC(F)n1cc(Nc2nc3c(-c4ccc(CN5CCOCC5)cc4)cccn3n2)cn1.
What is the InChIKey of N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IPMYWJLHKUNZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O/c22-20(23)30-14-17(12-24-30)25-21-26-19-18(2-1-7-29(19)27-21)16-5-3-15(4-6-16)13-28-8-10-31-11-9-28/h1-7,12,14,20H,8-11,13H2,(H,25,27).
What are the key properties of N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 425.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)pyrazol-4-yl]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70929676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).