tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate

C20H32N4O4 — CID 163383188

IUPACtert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate
SMILESCOC[C@H](C1CC1)N(Cc1ccc(N2CCOCC2)nn1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H32N4O4/c1-20(2,3)28-19(25)24(17(14-26-4)15-5-6-15)13-16-7-8-18(22-21-16)23-9-11-27-12-10-23/h7-8,15,17H,5-6,9-14H2,1-4H3/t17-/m1/s1
InChIKeyYAWKNQMQINRTGL-QGZVFWFLSA-N
MW392.50 g/mol
LogP2.48
Rot. Bonds7

About tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate

tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate (PubChem CID 163383188) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate
PubChem CID163383188
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Nametert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate
SMILESCOC[C@H](C1CC1)N(Cc1ccc(N2CCOCC2)nn1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H32N4O4/c1-20(2,3)28-19(25)24(17(14-26-4)15-5-6-15)13-16-7-8-18(22-21-16)23-9-11-27-12-10-23/h7-8,15,17H,5-6,9-14H2,1-4H3/t17-/m1/s1
InChIKeyYAWKNQMQINRTGL-QGZVFWFLSA-N
XLogP2.48
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate with MolForge

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Related Compounds

4-(6-ethylpyridazin-3-yl)morpholine
CID 118486685
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
2,2,2-trifluoroethyl 2-[[(1R)-1-cyclopropyl-2-methoxyethyl]-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-2-oxoacetate
CID 169111321
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine
CID 62284394
4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride
CID 82036401
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-[(4-morpholin-4-ylphenyl)methyl]amino]prop-2-ynoate
CID 67985208
4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine
CID 158286096
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate
CID 146078134
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate (CID 163383188) is tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate is COC[C@H](C1CC1)N(Cc1ccc(N2CCOCC2)nn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate?
The InChIKey is YAWKNQMQINRTGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-20(2,3)28-19(25)24(17(14-26-4)15-5-6-15)13-16-7-8-18(22-21-16)23-9-11-27-12-10-23/h7-8,15,17H,5-6,9-14H2,1-4H3/t17-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate?
tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate has a molecular weight of 392.50 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]-N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]carbamate is sourced from PubChem (CID 163383188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).