1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C25H30N6O2 — CID 118756047

IUPAC1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCCN2CCCC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C25H30N6O2/c1-33-17-22-21(24(32)26-11-14-30-12-4-5-13-30)16-28-31(22)25-27-15-19-9-6-8-18-7-2-3-10-20(18)23(19)29-25/h2-3,7,10,15-16H,4-6,8-9,11-14,17H2,1H3,(H,26,32)
InChIKeyZISLOSITNRZTIO-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.79
Rot. Bonds7

About 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 118756047) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID118756047
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCCN2CCCC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C25H30N6O2/c1-33-17-22-21(24(32)26-11-14-30-12-4-5-13-30)16-28-31(22)25-27-15-19-9-6-8-18-7-2-3-10-20(18)23(19)29-25/h2-3,7,10,15-16H,4-6,8-9,11-14,17H2,1H3,(H,26,32)
InChIKeyZISLOSITNRZTIO-UHFFFAOYSA-N
XLogP2.79
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-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 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 118756047) is 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is COCc1c(C(=O)NCCN2CCCC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2.
What is the InChIKey of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is ZISLOSITNRZTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-33-17-22-21(24(32)26-11-14-30-12-4-5-13-30)16-28-31(22)25-27-15-19-9-6-8-18-7-2-3-10-20(18)23(19)29-25/h2-3,7,10,15-16H,4-6,8-9,11-14,17H2,1H3,(H,26,32).
What are the key properties of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 118756047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).