(6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C23H26N4O5 — CID 136718577

IUPAC(6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCc2nnc(-c3ccc(O)cc3)n2C1
InChIInChI=1S/C23H26N4O5/c1-30-18-11-20(32-3)19(31-2)10-16(18)12-24-23(29)15-6-9-21-25-26-22(27(21)13-15)14-4-7-17(28)8-5-14/h4-5,7-8,10-11,15,28H,6,9,12-13H2,1-3H3,(H,24,29)/t15-/m1/s1
InChIKeyKYASXBRYNJISTQ-OAHLLOKOSA-N
MW438.48 g/mol
LogP2.56
Rot. Bonds7

About (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

(6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 136718577) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID136718577
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name(6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCc2nnc(-c3ccc(O)cc3)n2C1
InChIInChI=1S/C23H26N4O5/c1-30-18-11-20(32-3)19(31-2)10-16(18)12-24-23(29)15-6-9-21-25-26-22(27(21)13-15)14-4-7-17(28)8-5-14/h4-5,7-8,10-11,15,28H,6,9,12-13H2,1-3H3,(H,24,29)/t15-/m1/s1
InChIKeyKYASXBRYNJISTQ-OAHLLOKOSA-N
XLogP2.56
TPSA107.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136546232
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301
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
(6S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97075025
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
1,1-dioxo-N-[(2,4,5-trimethoxyphenyl)methyl]thiolane-3-carboxamide
CID 18090481
N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 139439837
N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 69165420
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558421
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 136718577) is (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCc2nnc(-c3ccc(O)cc3)n2C1.
What is the InChIKey of (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is KYASXBRYNJISTQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-30-18-11-20(32-3)19(31-2)10-16(18)12-24-23(29)15-6-9-21-25-26-22(27(21)13-15)14-4-7-17(28)8-5-14/h4-5,7-8,10-11,15,28H,6,9,12-13H2,1-3H3,(H,24,29)/t15-/m1/s1.
What are the key properties of (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(4-hydroxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 136718577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).