2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H25N5O3 — CID 126862666

IUPAC2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)ccc1=O
InChIInChI=1S/C20H25N5O3/c1-23-18(26)7-6-17(21-23)20(28)24-10-8-14(9-11-24)13-25-19(27)12-15-4-2-3-5-16(15)22-25/h6-7,12,14H,2-5,8-11,13H2,1H3
InChIKeyIHXTUAHTYRCIIH-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.77
Rot. Bonds3

About 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126862666) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126862666
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)ccc1=O
InChIInChI=1S/C20H25N5O3/c1-23-18(26)7-6-17(21-23)20(28)24-10-8-14(9-11-24)13-25-19(27)12-15-4-2-3-5-16(15)22-25/h6-7,12,14H,2-5,8-11,13H2,1H3
InChIKeyIHXTUAHTYRCIIH-UHFFFAOYSA-N
XLogP0.77
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126862666) is 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cn1nc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)ccc1=O.
What is the InChIKey of 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is IHXTUAHTYRCIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-23-18(26)7-6-17(21-23)20(28)24-10-8-14(9-11-24)13-25-19(27)12-15-4-2-3-5-16(15)22-25/h6-7,12,14H,2-5,8-11,13H2,1H3.
What are the key properties of 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 383.45 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126862666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).