[1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone

C23H29N5O3 — CID 122355598

IUPAC[1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)CC1
InChIInChI=1S/C23H29N5O3/c1-30-20-5-3-2-4-19(20)23(6-7-23)22(29)28-10-8-26(9-11-28)18-16-21(25-24-17-18)27-12-14-31-15-13-27/h2-5,16-17H,6-15H2,1H3
InChIKeyLLNANEHARQGATM-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.70
Rot. Bonds5

About [1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone

[1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone (PubChem CID 122355598) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
PubChem CID122355598
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name[1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)CC1
InChIInChI=1S/C23H29N5O3/c1-30-20-5-3-2-4-19(20)23(6-7-23)22(29)28-10-8-26(9-11-28)18-16-21(25-24-17-18)27-12-14-31-15-13-27/h2-5,16-17H,6-15H2,1H3
InChIKeyLLNANEHARQGATM-UHFFFAOYSA-N
XLogP1.70
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,3-dimethoxyphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121137255
[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343425
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122332260
(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809
2-(4-methoxy-3-methylphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122355410
(2-methoxy-3-pyridinyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122355432
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
(E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 122355415
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355684
[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349471

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone (CID 122355598) is [1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone is COc1ccccc1C1(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)CC1.
What is the InChIKey of [1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
The InChIKey is LLNANEHARQGATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-30-20-5-3-2-4-19(20)23(6-7-23)22(29)28-10-8-26(9-11-28)18-16-21(25-24-17-18)27-12-14-31-15-13-27/h2-5,16-17H,6-15H2,1H3.
What are the key properties of [1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone?
[1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone has a molecular weight of 423.52 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122355598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).