2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

C22H29N7O2 — CID 126931463

IUPAC2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCc1cc(NCC2CCCCN2c2ccc(=O)n(C3CCCC3O)n2)n2nccc2n1
InChIInChI=1S/C22H29N7O2/c1-15-13-21(29-19(25-15)10-11-24-29)23-14-16-5-2-3-12-27(16)20-8-9-22(31)28(26-20)17-6-4-7-18(17)30/h8-11,13,16-18,23,30H,2-7,12,14H2,1H3
InChIKeyYVGKRWZTPJMMRP-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.15
Rot. Bonds5

About 2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126931463) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126931463
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCc1cc(NCC2CCCCN2c2ccc(=O)n(C3CCCC3O)n2)n2nccc2n1
InChIInChI=1S/C22H29N7O2/c1-15-13-21(29-19(25-15)10-11-24-29)23-14-16-5-2-3-12-27(16)20-8-9-22(31)28(26-20)17-6-4-7-18(17)30/h8-11,13,16-18,23,30H,2-7,12,14H2,1H3
InChIKeyYVGKRWZTPJMMRP-UHFFFAOYSA-N
XLogP2.15
TPSA100.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-hydroxycyclopentyl)-6-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931356
2-(2-hydroxycyclopentyl)-6-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931434
2-(2-hydroxycyclopentyl)-6-[2-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931459
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 126931313
6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one
CID 126931360
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
CID 126931271
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrimidine-2-carboxamide
CID 126931295
6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 126931572
6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
CID 126931560
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 126931518
2-(2-hydroxycyclopentyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931370
6-[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931098

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (CID 126931463) is 2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is Cc1cc(NCC2CCCCN2c2ccc(=O)n(C3CCCC3O)n2)n2nccc2n1.
What is the InChIKey of 2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is YVGKRWZTPJMMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-15-13-21(29-19(25-15)10-11-24-29)23-14-16-5-2-3-12-27(16)20-8-9-22(31)28(26-20)17-6-4-7-18(17)30/h8-11,13,16-18,23,30H,2-7,12,14H2,1H3.
What are the key properties of 2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 423.52 g/mol, XLogP of 2.15, 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-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126931463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).