5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide

C20H24N4O3 — CID 97315987

IUPAC5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N[C@@H]3CCc4nnc(C(C)C)n4C3)c(C)c2c1
InChIInChI=1S/C20H24N4O3/c1-11(2)19-23-22-17-8-5-13(10-24(17)19)21-20(25)18-12(3)15-9-14(26-4)6-7-16(15)27-18/h6-7,9,11,13H,5,8,10H2,1-4H3,(H,21,25)/t13-/m1/s1
InChIKeyPBKJKGHQCSVGEP-CYBMUJFWSA-N
MW368.44 g/mol
LogP3.21
Rot. Bonds4

About 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide (PubChem CID 97315987) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide
PubChem CID97315987
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N[C@@H]3CCc4nnc(C(C)C)n4C3)c(C)c2c1
InChIInChI=1S/C20H24N4O3/c1-11(2)19-23-22-17-8-5-13(10-24(17)19)21-20(25)18-12(3)15-9-14(26-4)6-7-16(15)27-18/h6-7,9,11,13H,5,8,10H2,1-4H3,(H,21,25)/t13-/m1/s1
InChIKeyPBKJKGHQCSVGEP-CYBMUJFWSA-N
XLogP3.21
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
(E)-3-(2,4-dimethoxyphenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide
CID 75480223
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134047684
ethyl 4-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-1-carboxylate
CID 51193858
5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 86965684
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2469436
N-(2,6-dimethylpiperidin-1-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 3506352
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270253
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 97003008
5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511285

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide (CID 97315987) is 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)N[C@@H]3CCc4nnc(C(C)C)n4C3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide?
The InChIKey is PBKJKGHQCSVGEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-11(2)19-23-22-17-8-5-13(10-24(17)19)21-20(25)18-12(3)15-9-14(26-4)6-7-16(15)27-18/h6-7,9,11,13H,5,8,10H2,1-4H3,(H,21,25)/t13-/m1/s1.
What are the key properties of 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97315987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).