N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C23H28F3N7S — CID 70660408

IUPACN-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(C4CCC(C(F)(F)F)CC4)cccn3n2)n1
InChIInChI=1S/C23H28F3N7S/c1-13-27-22(34-31-13)32-11-15-4-5-16(12-32)19(15)28-21-29-20-18(3-2-10-33(20)30-21)14-6-8-17(9-7-14)23(24,25)26/h2-3,10,14-17,19H,4-9,11-12H2,1H3,(H,28,30)/t14?,15-,16+,17?,19?
InChIKeyLADDVEUYAPMKMZ-PVOWQQPYSA-N
MW491.59 g/mol
LogP5.05
Rot. Bonds4

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

N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70660408) has the molecular formula C23H28F3N7S and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70660408
Molecular FormulaC23H28F3N7S
Molecular Weight491.59 g/mol
Exact Mass491.21
IUPAC NameN-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(C4CCC(C(F)(F)F)CC4)cccn3n2)n1
InChIInChI=1S/C23H28F3N7S/c1-13-27-22(34-31-13)32-11-15-4-5-16(12-32)19(15)28-21-29-20-18(3-2-10-33(20)30-21)14-6-8-17(9-7-14)23(24,25)26/h2-3,10,14-17,19H,4-9,11-12H2,1H3,(H,28,30)/t14?,15-,16+,17?,19?
InChIKeyLADDVEUYAPMKMZ-PVOWQQPYSA-N
XLogP5.05
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[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 N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70660408) is N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(C4CCC(C(F)(F)F)CC4)cccn3n2)n1.
What is the InChIKey of N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is LADDVEUYAPMKMZ-PVOWQQPYSA-N. The full InChI is InChI=1S/C23H28F3N7S/c1-13-27-22(34-31-13)32-11-15-4-5-16(12-32)19(15)28-21-29-20-18(3-2-10-33(20)30-21)14-6-8-17(9-7-14)23(24,25)26/h2-3,10,14-17,19H,4-9,11-12H2,1H3,(H,28,30)/t14?,15-,16+,17?,19?.
What are the key properties of N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 491.59 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70660408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).