8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one

C24H22N6O — CID 146523787

IUPAC8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one
SMILESCc1ncccc1-c1cc2c(cn1)C1(CC1)N(C)C(=O)c1cc(-c3ccnn3C)cn1-2
InChIInChI=1S/C24H22N6O/c1-15-17(5-4-9-25-15)19-12-21-18(13-26-19)24(7-8-24)28(2)23(31)22-11-16(14-30(21)22)20-6-10-27-29(20)3/h4-6,9-14H,7-8H2,1-3H3
InChIKeyMVGCHNZMWCCURM-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.72
Rot. Bonds2

About 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one

8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one (PubChem CID 146523787) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one.

Molecular Properties

Compound Name8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one
PubChem CID146523787
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one
SMILESCc1ncccc1-c1cc2c(cn1)C1(CC1)N(C)C(=O)c1cc(-c3ccnn3C)cn1-2
InChIInChI=1S/C24H22N6O/c1-15-17(5-4-9-25-15)19-12-21-18(13-26-19)24(7-8-24)28(2)23(31)22-11-16(14-30(21)22)20-6-10-27-29(20)3/h4-6,9-14H,7-8H2,1-3H3
InChIKeyMVGCHNZMWCCURM-UHFFFAOYSA-N
XLogP3.72
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one with MolForge

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Related Compounds

5'-methyl-2'-(2-methylpyrazol-3-yl)-9'-(2-methyl-3-pyridinyl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129140815
5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3,4-oxadiazol-2-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129140818
5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-phenylspiro[cyclopropane-1,6'-imidazo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129117022
2'-(1H-imidazol-5-yl)-5'-methyl-9'-(2-methyl-3-pyridinyl)spiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
CID 137190706
5'-methyl-9'-(5-methyl-3-pyridinyl)-2'-phenylspiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129117012
5'-methyl-9'-(2-propyl-3-pyridinyl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129116996
9'-[2-(2-hydroxypropan-2-yl)-3-pyridinyl]-5'-methylspiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129116923
9'-(6-chloro-3-pyridinyl)-5'-methyl-2'-(1,3,4-oxadiazol-2-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129140689
9'-(6-fluoro-3-pyridinyl)-5'-methylspiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129117220
9'-(2,6-dimethyl-3-pyridinyl)-5'-methylspiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129116913
9'-bromo-8'-fluoro-5'-methylspiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129116976
9'-(2-ethyl-3-pyridinyl)-2'-(methoxymethyl)-5'-methylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
CID 129116961

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one?
The IUPAC name of 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one (CID 146523787) is 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one.
What is the SMILES notation for 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one?
The canonical SMILES for 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one is Cc1ncccc1-c1cc2c(cn1)C1(CC1)N(C)C(=O)c1cc(-c3ccnn3C)cn1-2.
What is the InChIKey of 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one?
The InChIKey is MVGCHNZMWCCURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-15-17(5-4-9-25-15)19-12-21-18(13-26-19)24(7-8-24)28(2)23(31)22-11-16(14-30(21)22)20-6-10-27-29(20)3/h4-6,9-14H,7-8H2,1-3H3.
What are the key properties of 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one?
8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one has a molecular weight of 410.48 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(2-methylpyrazol-3-yl)-13-(2-methyl-3-pyridinyl)spiro[2,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaene-9,1'-cyclopropane]-7-one is sourced from PubChem (CID 146523787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).