7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide

C19H18N6O3 — CID 119104873

IUPAC7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CCN(c4nccn5cnnc45)C3)oc12
InChIInChI=1S/C19H18N6O3/c1-27-14-4-2-3-12-9-15(28-16(12)14)19(26)22-13-5-7-24(10-13)17-18-23-21-11-25(18)8-6-20-17/h2-4,6,8-9,11,13H,5,7,10H2,1H3,(H,22,26)
InChIKeyJWXVTHHVDYYTCO-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.89
Rot. Bonds4

About 7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide

7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 119104873) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID119104873
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC3CCN(c4nccn5cnnc45)C3)oc12
InChIInChI=1S/C19H18N6O3/c1-27-14-4-2-3-12-9-15(28-16(12)14)19(26)22-13-5-7-24(10-13)17-18-23-21-11-25(18)8-6-20-17/h2-4,6,8-9,11,13H,5,7,10H2,1H3,(H,22,26)
InChIKeyJWXVTHHVDYYTCO-UHFFFAOYSA-N
XLogP1.89
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 99715119
7-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 91817853
2,4-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 119104884
3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide
CID 121022052
1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide
CID 119104878
7-methoxy-N-[(1R,5S)-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-2-carboxamide
CID 154876248
7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 136666518
7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 78867681
1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
CID 75202556
7-methoxy-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-2-carboxamide
CID 99987504
2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
CID 119104882
1-buta-1,3-dien-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 123514712

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide (CID 119104873) is 7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC3CCN(c4nccn5cnnc45)C3)oc12.
What is the InChIKey of 7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is JWXVTHHVDYYTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-27-14-4-2-3-12-9-15(28-16(12)14)19(26)22-13-5-7-24(10-13)17-18-23-21-11-25(18)8-6-20-17/h2-4,6,8-9,11,13H,5,7,10H2,1H3,(H,22,26).
What are the key properties of 7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119104873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).