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

C28H34N6O2 — CID 29001420

IUPAC5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1)N1CCOCC1
InChIInChI=1S/C28H34N6O2/c1-28(2,33-12-14-36-15-13-33)18-30-26(35)23-17-31-34(25(23)20-10-11-20)27-29-16-21-8-5-7-19-6-3-4-9-22(19)24(21)32-27/h3-4,6,9,16-17,20H,5,7-8,10-15,18H2,1-2H3,(H,30,35)
InChIKeyLUTCJNPYLFNJMW-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.54
Rot. Bonds6

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

5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (PubChem CID 29001420) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
PubChem CID29001420
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1)N1CCOCC1
InChIInChI=1S/C28H34N6O2/c1-28(2,33-12-14-36-15-13-33)18-30-26(35)23-17-31-34(25(23)20-10-11-20)27-29-16-21-8-5-7-19-6-3-4-9-22(19)24(21)32-27/h3-4,6,9,16-17,20H,5,7-8,10-15,18H2,1-2H3,(H,30,35)
InChIKeyLUTCJNPYLFNJMW-UHFFFAOYSA-N
XLogP3.54
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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CID 136057603
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CID 28854259
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CID 29259188

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (CID 29001420) is 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is CC(C)(CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1)N1CCOCC1.
What is the InChIKey of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is LUTCJNPYLFNJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-28(2,33-12-14-36-15-13-33)18-30-26(35)23-17-31-34(25(23)20-10-11-20)27-29-16-21-8-5-7-19-6-3-4-9-22(19)24(21)32-27/h3-4,6,9,16-17,20H,5,7-8,10-15,18H2,1-2H3,(H,30,35).
What are the key properties of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 29001420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).