4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine

C18H21N7O — CID 126862042

IUPAC4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCc1ccc(OCCN2CCN(c3ncnc4cnccc34)CC2)nn1
InChIInChI=1S/C18H21N7O/c1-14-2-3-17(23-22-14)26-11-10-24-6-8-25(9-7-24)18-15-4-5-19-12-16(15)20-13-21-18/h2-5,12-13H,6-11H2,1H3
InChIKeyOCSKIGHBSZCZEC-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.32
Rot. Bonds5

About 4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine

4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 126862042) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID126862042
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCc1ccc(OCCN2CCN(c3ncnc4cnccc34)CC2)nn1
InChIInChI=1S/C18H21N7O/c1-14-2-3-17(23-22-14)26-11-10-24-6-8-25(9-7-24)18-15-4-5-19-12-16(15)20-13-21-18/h2-5,12-13H,6-11H2,1H3
InChIKeyOCSKIGHBSZCZEC-UHFFFAOYSA-N
XLogP1.32
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethoxy]-6-methylpyridazine
CID 126861782
6-tert-butyl-2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126914326
4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 146074600
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 154882881
4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 175650898
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126911822
4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163345001
cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
CID 126856072
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrido[3,4-d]pyrimidine
CID 165433317
2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 171334425
4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163348985

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine (CID 126862042) is 4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine is Cc1ccc(OCCN2CCN(c3ncnc4cnccc34)CC2)nn1.
What is the InChIKey of 4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is OCSKIGHBSZCZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-14-2-3-17(23-22-14)26-11-10-24-6-8-25(9-7-24)18-15-4-5-19-12-16(15)20-13-21-18/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine?
4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 351.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 126862042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).