1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one

C22H28N6O2 — CID 131668715

IUPAC1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one
SMILESCn1nccc1C(=O)N1CCc2nc3n(c(=O)c2C1)CCC31CCN(CC2CC2)C1
InChIInChI=1S/C22H28N6O2/c1-25-18(4-8-23-25)20(30)27-9-5-17-16(13-27)19(29)28-11-7-22(21(28)24-17)6-10-26(14-22)12-15-2-3-15/h4,8,15H,2-3,5-7,9-14H2,1H3
InChIKeyUFXAAMGDFINOMV-UHFFFAOYSA-N
MW408.51 g/mol
LogP0.93
Rot. Bonds3

About 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one

1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one (PubChem CID 131668715) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one
PubChem CID131668715
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one
SMILESCn1nccc1C(=O)N1CCc2nc3n(c(=O)c2C1)CCC31CCN(CC2CC2)C1
InChIInChI=1S/C22H28N6O2/c1-25-18(4-8-23-25)20(30)27-9-5-17-16(13-27)19(29)28-11-7-22(21(28)24-17)6-10-26(14-22)12-15-2-3-15/h4,8,15H,2-3,5-7,9-14H2,1H3
InChIKeyUFXAAMGDFINOMV-UHFFFAOYSA-N
XLogP0.93
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one?
The IUPAC name of 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one (CID 131668715) is 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one is Cn1nccc1C(=O)N1CCc2nc3n(c(=O)c2C1)CCC31CCN(CC2CC2)C1.
What is the InChIKey of 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one?
The InChIKey is UFXAAMGDFINOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-25-18(4-8-23-25)20(30)27-9-5-17-16(13-27)19(29)28-11-7-22(21(28)24-17)6-10-26(14-22)12-15-2-3-15/h4,8,15H,2-3,5-7,9-14H2,1H3.
What are the key properties of 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one?
1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one has a molecular weight of 408.51 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one is sourced from PubChem (CID 131668715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).