[6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate

C23H29N5O3 — CID 67422287

IUPAC[6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ccc(OC(=O)NCCC4CC4)nn3)CC2)c1
InChIInChI=1S/C23H29N5O3/c1-16-3-4-17(2)19(15-16)22(29)28-13-11-27(12-14-28)20-7-8-21(26-25-20)31-23(30)24-10-9-18-5-6-18/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3,(H,24,30)
InChIKeyNDAQCSZNODITDZ-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.94
Rot. Bonds6

About [6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate

[6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate (PubChem CID 67422287) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is [6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate.

Molecular Properties

Compound Name[6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
PubChem CID67422287
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name[6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
SMILESCc1ccc(C)c(C(=O)N2CCN(c3ccc(OC(=O)NCCC4CC4)nn3)CC2)c1
InChIInChI=1S/C23H29N5O3/c1-16-3-4-17(2)19(15-16)22(29)28-13-11-27(12-14-28)20-7-8-21(26-25-20)31-23(30)24-10-9-18-5-6-18/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3,(H,24,30)
InChIKeyNDAQCSZNODITDZ-UHFFFAOYSA-N
XLogP2.94
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 87392314
[6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(3-cyclopropylpropyl)carbamate
CID 67420744
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate
CID 67418376
[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67420410
(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053805
6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849794
[6-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67420254
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-fluoro-5-methylphenyl)carbamate
CID 67418605
[6-[4-(2-nitrobenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(3-methylbutyl)carbamate
CID 67417886
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(3-chloro-4-methylphenyl)carbamate
CID 67420230
(2,4-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053795

Frequently Asked Questions

What is the IUPAC name of [6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
The IUPAC name of [6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate (CID 67422287) is [6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate.
What is the SMILES notation for [6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
The canonical SMILES for [6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate is Cc1ccc(C)c(C(=O)N2CCN(c3ccc(OC(=O)NCCC4CC4)nn3)CC2)c1.
What is the InChIKey of [6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
The InChIKey is NDAQCSZNODITDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-16-3-4-17(2)19(15-16)22(29)28-13-11-27(12-14-28)20-7-8-21(26-25-20)31-23(30)24-10-9-18-5-6-18/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3,(H,24,30).
What are the key properties of [6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
[6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate has a molecular weight of 423.52 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate is sourced from PubChem (CID 67422287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).