2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

C23H33N7O2 — CID 126931412

IUPAC2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCN1CCc2ncnc(NCC3CCCCN3c3ccc(=O)n(C4CCCC4O)n3)c2C1
InChIInChI=1S/C23H33N7O2/c1-28-12-10-18-17(14-28)23(26-15-25-18)24-13-16-5-2-3-11-29(16)21-8-9-22(32)30(27-21)19-6-4-7-20(19)31/h8-9,15-16,19-20,31H,2-7,10-14H2,1H3,(H,24,25,26)
InChIKeyDXAXJMZERVYYMU-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.58
Rot. Bonds5

About 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126931412) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126931412
Molecular FormulaC23H33N7O2
Molecular Weight439.56 g/mol
Exact Mass439.27
IUPAC Name2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCN1CCc2ncnc(NCC3CCCCN3c3ccc(=O)n(C4CCCC4O)n3)c2C1
InChIInChI=1S/C23H33N7O2/c1-28-12-10-18-17(14-28)23(26-15-25-18)24-13-16-5-2-3-11-29(16)21-8-9-22(32)30(27-21)19-6-4-7-20(19)31/h8-9,15-16,19-20,31H,2-7,10-14H2,1H3,(H,24,25,26)
InChIKeyDXAXJMZERVYYMU-UHFFFAOYSA-N
XLogP1.58
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (CID 126931412) is 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is CN1CCc2ncnc(NCC3CCCCN3c3ccc(=O)n(C4CCCC4O)n3)c2C1.
What is the InChIKey of 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is DXAXJMZERVYYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2/c1-28-12-10-18-17(14-28)23(26-15-25-18)24-13-16-5-2-3-11-29(16)21-8-9-22(32)30(27-21)19-6-4-7-20(19)31/h8-9,15-16,19-20,31H,2-7,10-14H2,1H3,(H,24,25,26).
What are the key properties of 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 439.56 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126931412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).