5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one

C23H29N7O — CID 128990617

IUPAC5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one
SMILESCc1cccc2ncnc(N3CCCC(n4ncc(N5CCN(C)CC5)cc4=O)C3)c12
InChIInChI=1S/C23H29N7O/c1-17-5-3-7-20-22(17)23(25-16-24-20)29-8-4-6-18(15-29)30-21(31)13-19(14-26-30)28-11-9-27(2)10-12-28/h3,5,7,13-14,16,18H,4,6,8-12,15H2,1-2H3
InChIKeyRPFWGLZZIGCYJD-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.09
Rot. Bonds3

About 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one

5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one (PubChem CID 128990617) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one
PubChem CID128990617
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one
SMILESCc1cccc2ncnc(N3CCCC(n4ncc(N5CCN(C)CC5)cc4=O)C3)c12
InChIInChI=1S/C23H29N7O/c1-17-5-3-7-20-22(17)23(25-16-24-20)29-8-4-6-18(15-29)30-21(31)13-19(14-26-30)28-11-9-27(2)10-12-28/h3,5,7,13-14,16,18H,4,6,8-12,15H2,1-2H3
InChIKeyRPFWGLZZIGCYJD-UHFFFAOYSA-N
XLogP2.09
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one with MolForge

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Related Compounds

2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 128991314
2-[(3S)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)piperidin-3-yl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 129325061
2-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 128987682
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820
3-methyl-4-[[(3R)-3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 129323874
(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol
CID 133384624
4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline
CID 133455730
2-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 128971642
4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133364512
5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 129323773
2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129324382
5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one
CID 128968445

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one (CID 128990617) is 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one is Cc1cccc2ncnc(N3CCCC(n4ncc(N5CCN(C)CC5)cc4=O)C3)c12.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one?
The InChIKey is RPFWGLZZIGCYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-17-5-3-7-20-22(17)23(25-16-24-20)29-8-4-6-18(15-29)30-21(31)13-19(14-26-30)28-11-9-27(2)10-12-28/h3,5,7,13-14,16,18H,4,6,8-12,15H2,1-2H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one?
5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one has a molecular weight of 419.53 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 128990617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).