(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

C23H31N5O2 — CID 7292473

IUPAC(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C23H31N5O2/c1-23(2,3)19-6-4-18(5-7-19)22(29)28-12-10-26(11-13-28)20-8-9-21(25-24-20)27-14-16-30-17-15-27/h4-9H,10-17H2,1-3H3
InChIKeySWSSGZDNLLCTJG-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.57
Rot. Bonds3

About (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 7292473) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID7292473
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C23H31N5O2/c1-23(2,3)19-6-4-18(5-7-19)22(29)28-12-10-26(11-13-28)20-8-9-21(25-24-20)27-14-16-30-17-15-27/h4-9H,10-17H2,1-3H3
InChIKeySWSSGZDNLLCTJG-UHFFFAOYSA-N
XLogP2.57
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 7292473) is (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is SWSSGZDNLLCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-23(2,3)19-6-4-18(5-7-19)22(29)28-12-10-26(11-13-28)20-8-9-21(25-24-20)27-14-16-30-17-15-27/h4-9H,10-17H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 409.53 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).