[5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone

C22H23N7O3 — CID 178180973

IUPAC[5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CC3C=C(c4nc(C)cnc4OC)CC3C2)c(-n2nccn2)cn1
InChIInChI=1S/C22H23N7O3/c1-13-9-24-21(32-3)20(27-13)14-6-15-11-28(12-16(15)7-14)22(30)17-8-19(31-2)23-10-18(17)29-25-4-5-26-29/h4-6,8-10,15-16H,7,11-12H2,1-3H3
InChIKeyGARCMAWENJQKIF-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.95
Rot. Bonds5

About [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone

[5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone (PubChem CID 178180973) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone
PubChem CID178180973
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name[5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CC3C=C(c4nc(C)cnc4OC)CC3C2)c(-n2nccn2)cn1
InChIInChI=1S/C22H23N7O3/c1-13-9-24-21(32-3)20(27-13)14-6-15-11-28(12-16(15)7-14)22(30)17-8-19(31-2)23-10-18(17)29-25-4-5-26-29/h4-6,8-10,15-16H,7,11-12H2,1-3H3
InChIKeyGARCMAWENJQKIF-UHFFFAOYSA-N
XLogP1.95
TPSA108.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 178180963
[5-(3,6-dimethylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 178180967
[5-(5-fluoro-4,6-dimethylpyrimidin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 178180977
2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid
CID 171797979
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 67116208
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 70981814
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 52917537
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-hydroxy-2-(triazol-2-yl)phenyl]methanone
CID 70981223
6-methoxy-2-[5-[5-methyl-2-(triazol-2-yl)benzoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3H-quinazolin-4-one
CID 163836653
[2-(6-methoxy-2-pyridinyl)-1,2,5-oxadiazepan-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134287053
[(3aR,6aS)-2-(4-methylfuro[3,2-d]pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 168869599
[(2R,5R)-2-methyl-5-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 25125857

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone?
The IUPAC name of [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone (CID 178180973) is [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone?
The canonical SMILES for [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone is COc1cc(C(=O)N2CC3C=C(c4nc(C)cnc4OC)CC3C2)c(-n2nccn2)cn1.
What is the InChIKey of [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone?
The InChIKey is GARCMAWENJQKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-13-9-24-21(32-3)20(27-13)14-6-15-11-28(12-16(15)7-14)22(30)17-8-19(31-2)23-10-18(17)29-25-4-5-26-29/h4-6,8-10,15-16H,7,11-12H2,1-3H3.
What are the key properties of [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone?
[5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone has a molecular weight of 433.47 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxy-6-methylpyrazin-2-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methoxy-5-(triazol-2-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 178180973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).