(2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone

C19H20N6O — CID 95803627

IUPAC(2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone
SMILESCn1nccc1C(=O)N1CCC2(CC1)Nc1cccnc1-n1cccc12
InChIInChI=1S/C19H20N6O/c1-23-15(6-10-21-23)18(26)24-12-7-19(8-13-24)16-5-3-11-25(16)17-14(22-19)4-2-9-20-17/h2-6,9-11,22H,7-8,12-13H2,1H3
InChIKeyJVJLPJRXIAETNW-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.16
Rot. Bonds1

About (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone

(2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone (PubChem CID 95803627) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone
PubChem CID95803627
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone
SMILESCn1nccc1C(=O)N1CCC2(CC1)Nc1cccnc1-n1cccc12
InChIInChI=1S/C19H20N6O/c1-23-15(6-10-21-23)18(26)24-12-7-19(8-13-24)16-5-3-11-25(16)17-14(22-19)4-2-9-20-17/h2-6,9-11,22H,7-8,12-13H2,1H3
InChIKeyJVJLPJRXIAETNW-UHFFFAOYSA-N
XLogP2.16
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone (CID 95803627) is (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone is Cn1nccc1C(=O)N1CCC2(CC1)Nc1cccnc1-n1cccc12.
What is the InChIKey of (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone?
The InChIKey is JVJLPJRXIAETNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-23-15(6-10-21-23)18(26)24-12-7-19(8-13-24)16-5-3-11-25(16)17-14(22-19)4-2-9-20-17/h2-6,9-11,22H,7-8,12-13H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone?
(2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 95803627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).