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

C26H26N6O2 — CID 42440166

IUPAC1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCc2cccc(C)n2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C26H26N6O2/c1-17-7-5-11-20(30-17)14-27-25(33)22-15-29-32(23(22)16-34-2)26-28-13-19-10-6-9-18-8-3-4-12-21(18)24(19)31-26/h3-5,7-8,11-13,15H,6,9-10,14,16H2,1-2H3,(H,27,33)
InChIKeyVPQAYTNWIJIVHX-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.60
Rot. Bonds6

About 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)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-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 42440166) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 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-[(6-methyl-2-pyridinyl)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-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID42440166
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCc2cccc(C)n2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C26H26N6O2/c1-17-7-5-11-20(30-17)14-27-25(33)22-15-29-32(23(22)16-34-2)26-28-13-19-10-6-9-18-8-3-4-12-21(18)24(19)31-26/h3-5,7-8,11-13,15H,6,9-10,14,16H2,1-2H3,(H,27,33)
InChIKeyVPQAYTNWIJIVHX-UHFFFAOYSA-N
XLogP3.60
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.60
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-[(6-methyl-2-pyridinyl)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-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)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-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide (CID 42440166) is 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)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-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)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-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide is COCc1c(C(=O)NCc2cccc(C)n2)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-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is VPQAYTNWIJIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-17-7-5-11-20(30-17)14-27-25(33)22-15-29-32(23(22)16-34-2)26-28-13-19-10-6-9-18-8-3-4-12-21(18)24(19)31-26/h3-5,7-8,11-13,15H,6,9-10,14,16H2,1-2H3,(H,27,33).
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-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)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-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.60, 6 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-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42440166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).