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

C25H30N6O — CID 45167436

IUPAC1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C25H30N6O/c1-17-22(24(32)26-13-18-7-6-12-30(2)16-18)15-28-31(17)25-27-14-20-10-5-9-19-8-3-4-11-21(19)23(20)29-25/h3-4,8,11,14-15,18H,5-7,9-10,12-13,16H2,1-2H3,(H,26,32)
InChIKeyGUYFNQZVMXHVBU-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.20
Rot. Bonds4

About 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methyl-N-[(1-methylpiperidin-3-yl)methyl]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-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 45167436) has the molecular formula C25H30N6O and a molecular weight of 430.56 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-methyl-N-[(1-methylpiperidin-3-yl)methyl]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-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID45167436
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C25H30N6O/c1-17-22(24(32)26-13-18-7-6-12-30(2)16-18)15-28-31(17)25-27-14-20-10-5-9-19-8-3-4-11-21(19)23(20)29-25/h3-4,8,11,14-15,18H,5-7,9-10,12-13,16H2,1-2H3,(H,26,32)
InChIKeyGUYFNQZVMXHVBU-UHFFFAOYSA-N
XLogP3.20
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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-[(1-methylpiperidin-3-yl)methyl]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-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide (CID 45167436) is 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methyl-N-[(1-methylpiperidin-3-yl)methyl]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-[(1-methylpiperidin-3-yl)methyl]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-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC2CCCN(C)C2)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-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is GUYFNQZVMXHVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17-22(24(32)26-13-18-7-6-12-30(2)16-18)15-28-31(17)25-27-14-20-10-5-9-19-8-3-4-11-21(19)23(20)29-25/h3-4,8,11,14-15,18H,5-7,9-10,12-13,16H2,1-2H3,(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-methyl-N-[(1-methylpiperidin-3-yl)methyl]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-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 45167436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).