8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H24F2N6OS — CID 129232005

IUPAC8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CC3CC[C@@H](C2)C3(C)Nc2nc3c(OCC(F)F)cccn3n2)sn1
InChIInChI=1S/C20H24F2N6OS/c1-12-8-17(30-26-12)27-9-13-5-6-14(10-27)20(13,2)24-19-23-18-15(29-11-16(21)22)4-3-7-28(18)25-19/h3-4,7-8,13-14,16H,5-6,9-11H2,1-2H3,(H,24,25)/t13-,14?,20?/m0/s1
InChIKeyYQKTVTNESGDLBQ-LTQQYIGLSA-N
MW434.52 g/mol
LogP3.86
Rot. Bonds6

About 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129232005) has the molecular formula C20H24F2N6OS and a molecular weight of 434.52 g/mol. Its IUPAC name is 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129232005
Molecular FormulaC20H24F2N6OS
Molecular Weight434.52 g/mol
Exact Mass434.17
IUPAC Name8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CC3CC[C@@H](C2)C3(C)Nc2nc3c(OCC(F)F)cccn3n2)sn1
InChIInChI=1S/C20H24F2N6OS/c1-12-8-17(30-26-12)27-9-13-5-6-14(10-27)20(13,2)24-19-23-18-15(29-11-16(21)22)4-3-7-28(18)25-19/h3-4,7-8,13-14,16H,5-6,9-11H2,1-2H3,(H,24,25)/t13-,14?,20?/m0/s1
InChIKeyYQKTVTNESGDLBQ-LTQQYIGLSA-N
XLogP3.86
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129232005) is 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2CC3CC[C@@H](C2)C3(C)Nc2nc3c(OCC(F)F)cccn3n2)sn1.
What is the InChIKey of 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YQKTVTNESGDLBQ-LTQQYIGLSA-N. The full InChI is InChI=1S/C20H24F2N6OS/c1-12-8-17(30-26-12)27-9-13-5-6-14(10-27)20(13,2)24-19-23-18-15(29-11-16(21)22)4-3-7-28(18)25-19/h3-4,7-8,13-14,16H,5-6,9-11H2,1-2H3,(H,24,25)/t13-,14?,20?/m0/s1.
What are the key properties of 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 434.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoroethoxy)-N-[(5S)-8-methyl-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129232005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).