N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H23FN6 — CID 138319684

IUPACN-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1ncc2c1CC[C@@H](Nc1nc3c(-c4ccc(F)cc4C)cccn3n1)C2
InChIInChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyOHXQPMCUJTWQJA-QGZVFWFLSA-N
MW390.47 g/mol
LogP4.03
Rot. Bonds4

About N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 138319684) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID138319684
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC NameN-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCn1ncc2c1CC[C@@H](Nc1nc3c(-c4ccc(F)cc4C)cccn3n1)C2
InChIInChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyOHXQPMCUJTWQJA-QGZVFWFLSA-N
XLogP4.03
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 138319684) is N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCn1ncc2c1CC[C@@H](Nc1nc3c(-c4ccc(F)cc4C)cccn3n1)C2.
What is the InChIKey of N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OHXQPMCUJTWQJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1.
What are the key properties of N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 390.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-1-ethyl-4,5,6,7-tetrahydroindazol-5-yl]-8-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 138319684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).