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

C26H32N6O2 — CID 28697143

IUPAC1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)N2CCOCC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C26H32N6O2/c1-18-22(24(33)28-17-26(2,3)31-11-13-34-14-12-31)16-29-32(18)25-27-15-20-9-6-8-19-7-4-5-10-21(19)23(20)30-25/h4-5,7,10,15-16H,6,8-9,11-14,17H2,1-3H3,(H,28,33)
InChIKeyPGEMLWGKBDVVPD-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.97
Rot. Bonds5

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

1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (PubChem CID 28697143) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 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-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)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-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
PubChem CID28697143
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)N2CCOCC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C26H32N6O2/c1-18-22(24(33)28-17-26(2,3)31-11-13-34-14-12-31)16-29-32(18)25-27-15-20-9-6-8-19-7-4-5-10-21(19)23(20)30-25/h4-5,7,10,15-16H,6,8-9,11-14,17H2,1-3H3,(H,28,33)
InChIKeyPGEMLWGKBDVVPD-UHFFFAOYSA-N
XLogP2.97
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.97
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-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)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-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)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-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (CID 28697143) is 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)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-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)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-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCC(C)(C)N2CCOCC2)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-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is PGEMLWGKBDVVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-18-22(24(33)28-17-26(2,3)31-11-13-34-14-12-31)16-29-32(18)25-27-15-20-9-6-8-19-7-4-5-10-21(19)23(20)30-25/h4-5,7,10,15-16H,6,8-9,11-14,17H2,1-3H3,(H,28,33).
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-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 2.97, 5 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-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 28697143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).