5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one

C14H15ClN8O — CID 31258207

IUPAC5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCn1ncc2c(N3CCN(c4cn[nH]c(=O)c4Cl)CC3)ncnc21
InChIInChI=1S/C14H15ClN8O/c1-21-12-9(6-19-21)13(17-8-16-12)23-4-2-22(3-5-23)10-7-18-20-14(24)11(10)15/h6-8H,2-5H2,1H3,(H,20,24)
InChIKeyWFCDKDKXHJPTCP-UHFFFAOYSA-N
MW346.78 g/mol
LogP0.43
Rot. Bonds2

About 5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 31258207) has the molecular formula C14H15ClN8O and a molecular weight of 346.78 g/mol. Its IUPAC name is 5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID31258207
Molecular FormulaC14H15ClN8O
Molecular Weight346.78 g/mol
Exact Mass346.11
IUPAC Name5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCn1ncc2c(N3CCN(c4cn[nH]c(=O)c4Cl)CC3)ncnc21
InChIInChI=1S/C14H15ClN8O/c1-21-12-9(6-19-21)13(17-8-16-12)23-4-2-22(3-5-23)10-7-18-20-14(24)11(10)15/h6-8H,2-5H2,1H3,(H,20,24)
InChIKeyWFCDKDKXHJPTCP-UHFFFAOYSA-N
XLogP0.43
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one (CID 31258207) is 5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one is Cn1ncc2c(N3CCN(c4cn[nH]c(=O)c4Cl)CC3)ncnc21.
What is the InChIKey of 5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is WFCDKDKXHJPTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN8O/c1-21-12-9(6-19-21)13(17-8-16-12)23-4-2-22(3-5-23)10-7-18-20-14(24)11(10)15/h6-8H,2-5H2,1H3,(H,20,24).
What are the key properties of 5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 346.78 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 31258207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).