(3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone

C19H23N7O2 — CID 126911164

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(c2nnc3cc4c(nn23)CCC4)CC1
InChIInChI=1S/C19H23N7O2/c1-24-11-14(18(23-24)28-2)19(27)25-8-6-12(7-9-25)17-21-20-16-10-13-4-3-5-15(13)22-26(16)17/h10-12H,3-9H2,1-2H3
InChIKeySZCYJSYNYJGHOX-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.37
Rot. Bonds3

About (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone

(3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone (PubChem CID 126911164) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone
PubChem CID126911164
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(c2nnc3cc4c(nn23)CCC4)CC1
InChIInChI=1S/C19H23N7O2/c1-24-11-14(18(23-24)28-2)19(27)25-8-6-12(7-9-25)17-21-20-16-10-13-4-3-5-15(13)22-26(16)17/h10-12H,3-9H2,1-2H3
InChIKeySZCYJSYNYJGHOX-UHFFFAOYSA-N
XLogP1.37
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

4-methoxy-1-methyl-5-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidine-1-carbonyl]pyridin-2-one
CID 126911212
[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126911173
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
12-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911358
2-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928494
12-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911281
2-(methoxymethyl)-5-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126911405
(3-methoxy-1-methylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155954051
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72882144
3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one
CID 126911310
1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one
CID 126911307
3-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]pyrrolidin-2-one
CID 126911383

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone (CID 126911164) is (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone is COc1nn(C)cc1C(=O)N1CCC(c2nnc3cc4c(nn23)CCC4)CC1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone?
The InChIKey is SZCYJSYNYJGHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-24-11-14(18(23-24)28-2)19(27)25-8-6-12(7-9-25)17-21-20-16-10-13-4-3-5-15(13)22-26(16)17/h10-12H,3-9H2,1-2H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone?
(3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone has a molecular weight of 381.44 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126911164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).