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

C22H26FN7S — CID 70661393

IUPAC8-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3n(n2)CCCC3c2ccc(F)cc2)n1
InChIInChI=1S/C22H26FN7S/c1-13-24-22(31-28-13)29-11-15-4-5-16(12-29)19(15)25-21-26-20-18(3-2-10-30(20)27-21)14-6-8-17(23)9-7-14/h6-9,15-16,18-19H,2-5,10-12H2,1H3,(H,25,27)/t15-,16+,18?,19?
InChIKeyUUGZQXBMMHYTFF-CCZBSFLLSA-N
MW439.56 g/mol
LogP3.83
Rot. Bonds4

About 8-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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 70661393) has the molecular formula C22H26FN7S and a molecular weight of 439.56 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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 CID70661393
Molecular FormulaC22H26FN7S
Molecular Weight439.56 g/mol
Exact Mass439.20
IUPAC Name8-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3n(n2)CCCC3c2ccc(F)cc2)n1
InChIInChI=1S/C22H26FN7S/c1-13-24-22(31-28-13)29-11-15-4-5-16(12-29)19(15)25-21-26-20-18(3-2-10-30(20)27-21)14-6-8-17(23)9-7-14/h6-9,15-16,18-19H,2-5,10-12H2,1H3,(H,25,27)/t15-,16+,18?,19?
InChIKeyUUGZQXBMMHYTFF-CCZBSFLLSA-N
XLogP3.83
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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 70661393) is 8-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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 Cc1nsc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3n(n2)CCCC3c2ccc(F)cc2)n1.
What is the InChIKey of 8-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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 UUGZQXBMMHYTFF-CCZBSFLLSA-N. The full InChI is InChI=1S/C22H26FN7S/c1-13-24-22(31-28-13)29-11-15-4-5-16(12-29)19(15)25-21-26-20-18(3-2-10-30(20)27-21)14-6-8-17(23)9-7-14/h6-9,15-16,18-19H,2-5,10-12H2,1H3,(H,25,27)/t15-,16+,18?,19?.
What are the key properties of 8-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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 439.56 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-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 70661393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).