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

C22H21F2N7 — CID 121475518

IUPAC8-(3,4-difluorophenyl)-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nccc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cccn4n3)CC2)n1
InChIInChI=1S/C22H21F2N7/c1-14-25-9-6-20(26-14)30-11-7-16(8-12-30)27-22-28-21-17(3-2-10-31(21)29-22)15-4-5-18(23)19(24)13-15/h2-6,9-10,13,16H,7-8,11-12H2,1H3,(H,27,29)
InChIKeyLTMWTBWIXUIJQV-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.85
Rot. Bonds4

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

8-(3,4-difluorophenyl)-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 121475518) has the molecular formula C22H21F2N7 and a molecular weight of 421.46 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID121475518
Molecular FormulaC22H21F2N7
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name8-(3,4-difluorophenyl)-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nccc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cccn4n3)CC2)n1
InChIInChI=1S/C22H21F2N7/c1-14-25-9-6-20(26-14)30-11-7-16(8-12-30)27-22-28-21-17(3-2-10-31(21)29-22)15-4-5-18(23)19(24)13-15/h2-6,9-10,13,16H,7-8,11-12H2,1H3,(H,27,29)
InChIKeyLTMWTBWIXUIJQV-UHFFFAOYSA-N
XLogP3.85
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.85
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-(2-methylpyrimidin-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-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 121475518) is 8-(3,4-difluorophenyl)-N-[1-(2-methylpyrimidin-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-(2-methylpyrimidin-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-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nccc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cccn4n3)CC2)n1.
What is the InChIKey of 8-(3,4-difluorophenyl)-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is LTMWTBWIXUIJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7/c1-14-25-9-6-20(26-14)30-11-7-16(8-12-30)27-22-28-21-17(3-2-10-31(21)29-22)15-4-5-18(23)19(24)13-15/h2-6,9-10,13,16H,7-8,11-12H2,1H3,(H,27,29).
What are the key properties of 8-(3,4-difluorophenyl)-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3,4-difluorophenyl)-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 421.46 g/mol, XLogP of 3.85, 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-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 121475518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).