8-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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

C24H24F2N6S — CID 126674278

IUPAC8-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(-c4ccc(C(F)F)cc4)cccn3n2)sn1
InChIInChI=1S/C24H24F2N6S/c1-14-11-20(33-30-14)31-12-17-8-9-18(13-31)21(17)27-24-28-23-19(3-2-10-32(23)29-24)15-4-6-16(7-5-15)22(25)26/h2-7,10-11,17-18,21-22H,8-9,12-13H2,1H3,(H,27,29)/t17-,18+,21?
InChIKeyIFGOLXIJRCXJDB-HTZLVSCSSA-N
MW466.56 g/mol
LogP5.43
Rot. Bonds5

About 8-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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 126674278) has the molecular formula C24H24F2N6S and a molecular weight of 466.56 g/mol. Its IUPAC name is 8-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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 CID126674278
Molecular FormulaC24H24F2N6S
Molecular Weight466.56 g/mol
Exact Mass466.18
IUPAC Name8-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(-c4ccc(C(F)F)cc4)cccn3n2)sn1
InChIInChI=1S/C24H24F2N6S/c1-14-11-20(33-30-14)31-12-17-8-9-18(13-31)21(17)27-24-28-23-19(3-2-10-32(23)29-24)15-4-6-16(7-5-15)22(25)26/h2-7,10-11,17-18,21-22H,8-9,12-13H2,1H3,(H,27,29)/t17-,18+,21?
InChIKeyIFGOLXIJRCXJDB-HTZLVSCSSA-N
XLogP5.43
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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 126674278) is 8-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(-c4ccc(C(F)F)cc4)cccn3n2)sn1.
What is the InChIKey of 8-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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 IFGOLXIJRCXJDB-HTZLVSCSSA-N. The full InChI is InChI=1S/C24H24F2N6S/c1-14-11-20(33-30-14)31-12-17-8-9-18(13-31)21(17)27-24-28-23-19(3-2-10-32(23)29-24)15-4-6-16(7-5-15)22(25)26/h2-7,10-11,17-18,21-22H,8-9,12-13H2,1H3,(H,27,29)/t17-,18+,21?.
What are the key properties of 8-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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 466.56 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethyl)phenyl]-N-[(1S,5R)-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 126674278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).