[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate

C19H27N5O4 — CID 67420410

IUPAC[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
SMILESO=C(NCCC1CC1)Oc1ccc(N2CCN(C(=O)C3CCCO3)CC2)nn1
InChIInChI=1S/C19H27N5O4/c25-18(15-2-1-13-27-15)24-11-9-23(10-12-24)16-5-6-17(22-21-16)28-19(26)20-8-7-14-3-4-14/h5-6,14-15H,1-4,7-13H2,(H,20,26)
InChIKeyLPACOGGPKFUDNI-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.19
Rot. Bonds6

About [6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate

[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate (PubChem CID 67420410) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is [6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate.

Molecular Properties

Compound Name[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
PubChem CID67420410
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
SMILESO=C(NCCC1CC1)Oc1ccc(N2CCN(C(=O)C3CCCO3)CC2)nn1
InChIInChI=1S/C19H27N5O4/c25-18(15-2-1-13-27-15)24-11-9-23(10-12-24)16-5-6-17(22-21-16)28-19(26)20-8-7-14-3-4-14/h5-6,14-15H,1-4,7-13H2,(H,20,26)
InChIKeyLPACOGGPKFUDNI-UHFFFAOYSA-N
XLogP1.19
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67422287
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122279219
6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 7178110
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate
CID 67418376
[6-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67420254
[6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(3-cyclopropylpropyl)carbamate
CID 67420744
methyl 2-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate
CID 94616340
methyl 2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate
CID 94616339
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006

Frequently Asked Questions

What is the IUPAC name of [6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
The IUPAC name of [6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate (CID 67420410) is [6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate.
What is the SMILES notation for [6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
The canonical SMILES for [6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate is O=C(NCCC1CC1)Oc1ccc(N2CCN(C(=O)C3CCCO3)CC2)nn1.
What is the InChIKey of [6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
The InChIKey is LPACOGGPKFUDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c25-18(15-2-1-13-27-15)24-11-9-23(10-12-24)16-5-6-17(22-21-16)28-19(26)20-8-7-14-3-4-14/h5-6,14-15H,1-4,7-13H2,(H,20,26).
What are the key properties of [6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate has a molecular weight of 389.46 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate is sourced from PubChem (CID 67420410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).