8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H25F6N7O — CID 126674169

IUPAC8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3n(n2)CCCC3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C24H25F6N7O/c1-12-33-34-22(38-12)36-10-13-4-5-14(11-36)19(13)31-21-32-20-18(3-2-6-37(20)35-21)15-7-16(23(25,26)27)9-17(8-15)24(28,29)30/h7-9,13-14,18-19H,2-6,10-11H2,1H3,(H,31,35)/t13-,14+,18?,19?
InChIKeyKTVKCASQLQLIME-BAUKFBFWSA-N
MW541.50 g/mol
LogP5.26
Rot. Bonds4

About 8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 126674169) has the molecular formula C24H25F6N7O and a molecular weight of 541.50 g/mol. Its IUPAC name is 8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID126674169
Molecular FormulaC24H25F6N7O
Molecular Weight541.50 g/mol
Exact Mass541.20
IUPAC Name8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3n(n2)CCCC3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C24H25F6N7O/c1-12-33-34-22(38-12)36-10-13-4-5-14(11-36)19(13)31-21-32-20-18(3-2-6-37(20)35-21)15-7-16(23(25,26)27)9-17(8-15)24(28,29)30/h7-9,13-14,18-19H,2-6,10-11H2,1H3,(H,31,35)/t13-,14+,18?,19?
InChIKeyKTVKCASQLQLIME-BAUKFBFWSA-N
XLogP5.26
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[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-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 126674169) is 8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nnc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3n(n2)CCCC3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1.
What is the InChIKey of 8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is KTVKCASQLQLIME-BAUKFBFWSA-N. The full InChI is InChI=1S/C24H25F6N7O/c1-12-33-34-22(38-12)36-10-13-4-5-14(11-36)19(13)31-21-32-20-18(3-2-6-37(20)35-21)15-7-16(23(25,26)27)9-17(8-15)24(28,29)30/h7-9,13-14,18-19H,2-6,10-11H2,1H3,(H,31,35)/t13-,14+,18?,19?.
What are the key properties of 8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 541.50 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 126674169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).