(5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone

C20H20N6O — CID 92563042

IUPAC(5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone
SMILESCc1cnc(C(=O)N2C[C@H]3CCc4nnc(-c5ccccc5)n4[C@H]3C2)cn1
InChIInChI=1S/C20H20N6O/c1-13-9-22-16(10-21-13)20(27)25-11-15-7-8-18-23-24-19(26(18)17(15)12-25)14-5-3-2-4-6-14/h2-6,9-10,15,17H,7-8,11-12H2,1H3/t15-,17+/m1/s1
InChIKeyCRSLVWBCNIPXNA-WBVHZDCISA-N
MW360.42 g/mol
LogP2.30
Rot. Bonds2

About (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone

(5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone (PubChem CID 92563042) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone
PubChem CID92563042
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone
SMILESCc1cnc(C(=O)N2C[C@H]3CCc4nnc(-c5ccccc5)n4[C@H]3C2)cn1
InChIInChI=1S/C20H20N6O/c1-13-9-22-16(10-21-13)20(27)25-11-15-7-8-18-23-24-19(26(18)17(15)12-25)14-5-3-2-4-6-14/h2-6,9-10,15,17H,7-8,11-12H2,1H3/t15-,17+/m1/s1
InChIKeyCRSLVWBCNIPXNA-WBVHZDCISA-N
XLogP2.30
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone with MolForge

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Related Compounds

(2-methoxyphenyl)-[(2R,6R)-12-pyridin-4-yl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone
CID 92601261
(2-methylcyclopropyl)-[(2R,6R)-12-pyridin-4-yl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone
CID 110218001
[(2R,6R)-12-(2-methoxyphenyl)-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]-pyridin-2-ylmethanone
CID 92602512
(5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 166604552
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(5-methylpyrazin-2-yl)methanone
CID 97377160
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
(2R,3aR,6aR)-N,1-dimethyl-5-(5-methylpyrazine-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97362554
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 121153523
(2S,3aS,6aS)-1-acetyl-N-methyl-5-(5-methylpyrazine-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 124799770
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 120741824
(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119564341

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone (CID 92563042) is (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone is Cc1cnc(C(=O)N2C[C@H]3CCc4nnc(-c5ccccc5)n4[C@H]3C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone?
The InChIKey is CRSLVWBCNIPXNA-WBVHZDCISA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-9-22-16(10-21-13)20(27)25-11-15-7-8-18-23-24-19(26(18)17(15)12-25)14-5-3-2-4-6-14/h2-6,9-10,15,17H,7-8,11-12H2,1H3/t15-,17+/m1/s1.
What are the key properties of (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone?
(5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone has a molecular weight of 360.42 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[(2R,6R)-12-phenyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone is sourced from PubChem (CID 92563042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).