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

C21H19F2N7 — CID 58398037

IUPAC8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccn3nc(NC4CCN(c5ccncn5)CC4)nc23)cc1F
InChIInChI=1S/C21H19F2N7/c22-17-4-3-14(12-18(17)23)16-2-1-9-30-20(16)27-21(28-30)26-15-6-10-29(11-7-15)19-5-8-24-13-25-19/h1-5,8-9,12-13,15H,6-7,10-11H2,(H,26,28)
InChIKeyJQLRKCGHYJFRPX-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.55
Rot. Bonds4

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

8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58398037) has the molecular formula C21H19F2N7 and a molecular weight of 407.43 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58398037
Molecular FormulaC21H19F2N7
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc(-c2cccn3nc(NC4CCN(c5ccncn5)CC4)nc23)cc1F
InChIInChI=1S/C21H19F2N7/c22-17-4-3-14(12-18(17)23)16-2-1-9-30-20(16)27-21(28-30)26-15-6-10-29(11-7-15)19-5-8-24-13-25-19/h1-5,8-9,12-13,15H,6-7,10-11H2,(H,26,28)
InChIKeyJQLRKCGHYJFRPX-UHFFFAOYSA-N
XLogP3.55
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.55
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-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58398037) is 8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Fc1ccc(-c2cccn3nc(NC4CCN(c5ccncn5)CC4)nc23)cc1F.
What is the InChIKey of 8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JQLRKCGHYJFRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7/c22-17-4-3-14(12-18(17)23)16-2-1-9-30-20(16)27-21(28-30)26-15-6-10-29(11-7-15)19-5-8-24-13-25-19/h1-5,8-9,12-13,15H,6-7,10-11H2,(H,26,28).
What are the key properties of 8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 407.43 g/mol, XLogP of 3.55, 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-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58398037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).