11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide

C22H31N7O2 — CID 131671178

IUPAC11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CCn3c2nc2c(c3=O)CN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C22H31N7O2/c1-15(2)24-21(31)28-8-5-22(14-28)6-9-29-19(30)17-13-27(7-4-18(17)25-20(22)29)12-16-10-23-26(3)11-16/h10-11,15H,4-9,12-14H2,1-3H3,(H,24,31)
InChIKeyDACYRQUVTVCOEZ-UHFFFAOYSA-N
MW425.54 g/mol
LogP1.00
Rot. Bonds3

About 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide

11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 131671178) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID131671178
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC Name11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CCn3c2nc2c(c3=O)CN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C22H31N7O2/c1-15(2)24-21(31)28-8-5-22(14-28)6-9-29-19(30)17-13-27(7-4-18(17)25-20(22)29)12-16-10-23-26(3)11-16/h10-11,15H,4-9,12-14H2,1-3H3,(H,24,31)
InChIKeyDACYRQUVTVCOEZ-UHFFFAOYSA-N
XLogP1.00
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide (CID 131671178) is 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide is CC(C)NC(=O)N1CCC2(CCn3c2nc2c(c3=O)CN(Cc3cnn(C)c3)CC2)C1.
What is the InChIKey of 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is DACYRQUVTVCOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-15(2)24-21(31)28-8-5-22(14-28)6-9-29-19(30)17-13-27(7-4-18(17)25-20(22)29)12-16-10-23-26(3)11-16/h10-11,15H,4-9,12-14H2,1-3H3,(H,24,31).
What are the key properties of 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide?
11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 131671178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).