5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide

C19H20N4O3 — CID 97342704

IUPAC5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)o1
InChIInChI=1S/C19H20N4O3/c1-25-12-15-8-9-16(26-15)19(24)20-14-7-10-17-21-22-18(23(17)11-14)13-5-3-2-4-6-13/h2-6,8-9,14H,7,10-12H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyYYZVCOGHUBKHOQ-AWEZNQCLSA-N
MW352.39 g/mol
LogP2.43
Rot. Bonds5

About 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide

5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide (PubChem CID 97342704) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide
PubChem CID97342704
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)o1
InChIInChI=1S/C19H20N4O3/c1-25-12-15-8-9-16(26-15)19(24)20-14-7-10-17-21-22-18(23(17)11-14)13-5-3-2-4-6-13/h2-6,8-9,14H,7,10-12H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyYYZVCOGHUBKHOQ-AWEZNQCLSA-N
XLogP2.43
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
5-(methoxymethyl)-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119450206
5-(methoxymethyl)-N-(1-propylpiperidin-4-yl)furan-2-carboxamide
CID 78827546
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
1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
CID 97342736
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840822
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-(methoxymethyl)-N-[[7-(3-phenylbutyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]furan-2-carboxamide
CID 45205319
5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide
CID 175640680
N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 35014079
N-[[7-(2-chloro-3-phenylprop-2-enyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 74568145
N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 75473570

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide (CID 97342704) is 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide is COCc1ccc(C(=O)N[C@H]2CCc3nnc(-c4ccccc4)n3C2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide?
The InChIKey is YYZVCOGHUBKHOQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-12-15-8-9-16(26-15)19(24)20-14-7-10-17-21-22-18(23(17)11-14)13-5-3-2-4-6-13/h2-6,8-9,14H,7,10-12H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide?
5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 97342704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).