N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide

C17H20FN5O2 — CID 97346653

IUPACN-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)N1CCOCC1
InChIInChI=1S/C17H20FN5O2/c18-13-3-1-12(2-4-13)16-21-20-15-6-5-14(11-23(15)16)19-17(24)22-7-9-25-10-8-22/h1-4,14H,5-11H2,(H,19,24)/t14-/m1/s1
InChIKeyBTHPJRIJDSPNQB-CQSZACIVSA-N
MW345.38 g/mol
LogP1.44
Rot. Bonds2

About N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide

N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide (PubChem CID 97346653) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide
PubChem CID97346653
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)N1CCOCC1
InChIInChI=1S/C17H20FN5O2/c18-13-3-1-12(2-4-13)16-21-20-15-6-5-14(11-23(15)16)19-17(24)22-7-9-25-10-8-22/h1-4,14H,5-11H2,(H,19,24)/t14-/m1/s1
InChIKeyBTHPJRIJDSPNQB-CQSZACIVSA-N
XLogP1.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2-dimethylpropanamide
CID 97346541
1-ethyl-N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclobutane-1-carboxamide
CID 136521813
cis-(1R,3S)-3-[[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066761
N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-methoxyphenyl)acetamide
CID 136521812
5-cyclopropyl-N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methylpyrazole-4-carboxamide
CID 127787077
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(2-methoxyphenyl)acetamide
CID 97346535
5-[[(6S)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]carbamoylamino]-2-methylbenzamide
CID 97346852
2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide
CID 97346553
1-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea
CID 154840938
N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 154806982
3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134796102
N-(1,2,3,4-tetrahydronaphthalen-2-yl)morpholine-4-carboxamide
CID 115599477

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide (CID 97346653) is N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide is O=C(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)N1CCOCC1.
What is the InChIKey of N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide?
The InChIKey is BTHPJRIJDSPNQB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-13-3-1-12(2-4-13)16-21-20-15-6-5-14(11-23(15)16)19-17(24)22-7-9-25-10-8-22/h1-4,14H,5-11H2,(H,19,24)/t14-/m1/s1.
What are the key properties of N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide?
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide is sourced from PubChem (CID 97346653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).