N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide

C21H29N7O3 — CID 166912146

IUPACN-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2cccc3c(N4CCC(=O)NC4=O)nn(C)c23)CC1
InChIInChI=1S/C21H29N7O3/c1-3-8-26-10-12-27(13-11-26)14-18(30)22-16-6-4-5-15-19(16)25(2)24-20(15)28-9-7-17(29)23-21(28)31/h4-6H,3,7-14H2,1-2H3,(H,22,30)(H,23,29,31)
InChIKeySIRVADACVUZTQY-UHFFFAOYSA-N
MW427.51 g/mol
LogP0.99
Rot. Bonds6

About N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide

N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide (PubChem CID 166912146) has the molecular formula C21H29N7O3 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide
PubChem CID166912146
Molecular FormulaC21H29N7O3
Molecular Weight427.51 g/mol
Exact Mass427.23
IUPAC NameN-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2cccc3c(N4CCC(=O)NC4=O)nn(C)c23)CC1
InChIInChI=1S/C21H29N7O3/c1-3-8-26-10-12-27(13-11-26)14-18(30)22-16-6-4-5-15-19(16)25(2)24-20(15)28-9-7-17(29)23-21(28)31/h4-6H,3,7-14H2,1-2H3,(H,22,30)(H,23,29,31)
InChIKeySIRVADACVUZTQY-UHFFFAOYSA-N
XLogP0.99
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide (CID 166912146) is N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide is CCCN1CCN(CC(=O)Nc2cccc3c(N4CCC(=O)NC4=O)nn(C)c23)CC1.
What is the InChIKey of N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide?
The InChIKey is SIRVADACVUZTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O3/c1-3-8-26-10-12-27(13-11-26)14-18(30)22-16-6-4-5-15-19(16)25(2)24-20(15)28-9-7-17(29)23-21(28)31/h4-6H,3,7-14H2,1-2H3,(H,22,30)(H,23,29,31).
What are the key properties of N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide?
N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide has a molecular weight of 427.51 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide is sourced from PubChem (CID 166912146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).