2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one

C21H23N5O2 — CID 3593803

IUPAC2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
InChIInChI=1S/C21H23N5O2/c1-2-11-26-20(27)17-8-4-3-7-16(17)19(23-26)21(28)25-14-12-24(13-15-25)18-9-5-6-10-22-18/h3-10H,2,11-15H2,1H3
InChIKeyXASCWCONXIIDHV-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.16
Rot. Bonds4

About 2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one

2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one (PubChem CID 3593803) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
PubChem CID3593803
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
InChIInChI=1S/C21H23N5O2/c1-2-11-26-20(27)17-8-4-3-7-16(17)19(23-26)21(28)25-14-12-24(13-15-25)18-9-5-6-10-22-18/h3-10H,2,11-15H2,1H3
InChIKeyXASCWCONXIIDHV-UHFFFAOYSA-N
XLogP2.16
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Imnopitant
CID 9808518
2-[4-[3-[(4-Oxidanylidene-3~{h}-Phthalazin-1-Yl)methyl]phenyl]carbonylpiperazin-1-Yl]pyridine-3-Carbonitrile
CID 92045137
4-[(4-Fluoro-3-{[4-(pyrimidin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132954
4-[(3-{[4-(Pyridin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132613
4-[(4-Fluoro-3-{[4-(pyridin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132952
4-[(3-{[4-(Pyrimidin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132953
13-Benzyl-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470723
2-Ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470725
2-Ethyl-9-methyl-13-(3-phenylpropyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470726
2-Ethyl-9-methyl-13-[2-(2-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470736
5H-Benzo(c)(1,8)naphthyridin-6-one
CID 12342815
8-[[4-fluoro-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 25117637

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
The IUPAC name of 2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one (CID 3593803) is 2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one is CCCn1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O.
What is the InChIKey of 2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
The InChIKey is XASCWCONXIIDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-11-26-20(27)17-8-4-3-7-16(17)19(23-26)21(28)25-14-12-24(13-15-25)18-9-5-6-10-22-18/h3-10H,2,11-15H2,1H3.
What are the key properties of 2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one?
2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one has a molecular weight of 377.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one is sourced from PubChem (CID 3593803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).