ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one

C23H29N5O3 — CID 171631020

IUPACethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
SMILESCC.CCn1nc(C(=O)N2CCN(c3ncccc3OC)CC2)c2ccccc2c1=O
InChIInChI=1S/C21H23N5O3.C2H6/c1-3-26-20(27)16-8-5-4-7-15(16)18(23-26)21(28)25-13-11-24(12-14-25)19-17(29-2)9-6-10-22-19;1-2/h4-10H,3,11-14H2,1-2H3;1-2H3
InChIKeyAHZYUFKDQUOWRQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.81
Rot. Bonds4

About ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one

ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one (PubChem CID 171631020) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one.

Molecular Properties

Compound Nameethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
PubChem CID171631020
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Nameethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
SMILESCC.CCn1nc(C(=O)N2CCN(c3ncccc3OC)CC2)c2ccccc2c1=O
InChIInChI=1S/C21H23N5O3.C2H6/c1-3-26-20(27)16-8-5-4-7-15(16)18(23-26)21(28)25-13-11-24(12-14-25)19-17(29-2)9-6-10-22-19;1-2/h4-10H,3,11-14H2,1-2H3;1-2H3
InChIKeyAHZYUFKDQUOWRQ-UHFFFAOYSA-N
XLogP2.81
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 26912236
4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171630603
2-ethyl-4-[4-(5-isocyano-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 172510491
4-[4-(4,5-difluoro-2-methoxyphenyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630933
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one
CID 171630560
6-[4-(3-ethyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]-5-fluoro-N-methylpyridine-3-carbonitrilium
CID 171631034
2-[4-(3-butyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 99164422
4-[4-[(1E,3E)-1,4-diamino-3-methoxybuta-1,3-dienyl]piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630530
2-hexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 7928690
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 49071749

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one?
The IUPAC name of ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one (CID 171631020) is ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one.
What is the SMILES notation for ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one?
The canonical SMILES for ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one is CC.CCn1nc(C(=O)N2CCN(c3ncccc3OC)CC2)c2ccccc2c1=O.
What is the InChIKey of ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one?
The InChIKey is AHZYUFKDQUOWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3.C2H6/c1-3-26-20(27)16-8-5-4-7-15(16)18(23-26)21(28)25-13-11-24(12-14-25)19-17(29-2)9-6-10-22-19;1-2/h4-10H,3,11-14H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one?
ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one has a molecular weight of 423.52 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one is sourced from PubChem (CID 171631020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).