1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide

C24H27N5O3 — CID 45243476

IUPAC1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C24H27N5O3/c1-16-21(23(30)28(2)14-19-15-31-10-11-32-19)13-26-29(16)24-25-12-18-8-5-7-17-6-3-4-9-20(17)22(18)27-24/h3-4,6,9,12-13,19H,5,7-8,10-11,14-15H2,1-2H3
InChIKeyRLYXJFHXELBBHC-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.61
Rot. Bonds4

About 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide

1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 45243476) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 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)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-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)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide
PubChem CID45243476
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C24H27N5O3/c1-16-21(23(30)28(2)14-19-15-31-10-11-32-19)13-26-29(16)24-25-12-18-8-5-7-17-6-3-4-9-20(17)22(18)27-24/h3-4,6,9,12-13,19H,5,7-8,10-11,14-15H2,1-2H3
InChIKeyRLYXJFHXELBBHC-UHFFFAOYSA-N
XLogP2.61
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.61
H-Bond Donors ≤ 50
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)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-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)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-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)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide (CID 45243476) is 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-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)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-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)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)CC2COCCO2)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)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is RLYXJFHXELBBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-21(23(30)28(2)14-19-15-31-10-11-32-19)13-26-29(16)24-25-12-18-8-5-7-17-6-3-4-9-20(17)22(18)27-24/h3-4,6,9,12-13,19H,5,7-8,10-11,14-15H2,1-2H3.
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)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide?
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 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)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 45243476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).