8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H18F5N7 — CID 58398073

IUPAC8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccn3nc(NC4CCN(c5cc(C(F)(F)F)ncn5)CC4)nc23)cc1F
InChIInChI=1S/C22H18F5N7/c23-16-4-3-13(10-17(16)24)15-2-1-7-34-20(15)31-21(32-34)30-14-5-8-33(9-6-14)19-11-18(22(25,26)27)28-12-29-19/h1-4,7,10-12,14H,5-6,8-9H2,(H,30,32)
InChIKeyUZYQGUGRHFWHJS-UHFFFAOYSA-N
MW475.43 g/mol
LogP4.56
Rot. Bonds4

About 8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58398073) has the molecular formula C22H18F5N7 and a molecular weight of 475.43 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58398073
Molecular FormulaC22H18F5N7
Molecular Weight475.43 g/mol
Exact Mass475.15
IUPAC Name8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccn3nc(NC4CCN(c5cc(C(F)(F)F)ncn5)CC4)nc23)cc1F
InChIInChI=1S/C22H18F5N7/c23-16-4-3-13(10-17(16)24)15-2-1-7-34-20(15)31-21(32-34)30-14-5-8-33(9-6-14)19-11-18(22(25,26)27)28-12-29-19/h1-4,7,10-12,14H,5-6,8-9H2,(H,30,32)
InChIKeyUZYQGUGRHFWHJS-UHFFFAOYSA-N
XLogP4.56
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58398073) is 8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Fc1ccc(-c2cccn3nc(NC4CCN(c5cc(C(F)(F)F)ncn5)CC4)nc23)cc1F.
What is the InChIKey of 8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is UZYQGUGRHFWHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F5N7/c23-16-4-3-13(10-17(16)24)15-2-1-7-34-20(15)31-21(32-34)30-14-5-8-33(9-6-14)19-11-18(22(25,26)27)28-12-29-19/h1-4,7,10-12,14H,5-6,8-9H2,(H,30,32).
What are the key properties of 8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 475.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58398073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).