2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide

C24H24N8O2 — CID 71269115

IUPAC2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ccc(Nc3nc(-c4ccccc4)nc4cn[nH]c(=O)c34)cn2)CC1
InChIInChI=1S/C24H24N8O2/c25-19(33)12-15-8-10-32(11-9-15)20-7-6-17(13-26-20)28-23-21-18(14-27-31-24(21)34)29-22(30-23)16-4-2-1-3-5-16/h1-7,13-15H,8-12H2,(H2,25,33)(H,31,34)(H,28,29,30)
InChIKeyHTGXHURNUFYIPV-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.61
Rot. Bonds6

About 2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide

2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 71269115) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID71269115
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ccc(Nc3nc(-c4ccccc4)nc4cn[nH]c(=O)c34)cn2)CC1
InChIInChI=1S/C24H24N8O2/c25-19(33)12-15-8-10-32(11-9-15)20-7-6-17(13-26-20)28-23-21-18(14-27-31-24(21)34)29-22(30-23)16-4-2-1-3-5-16/h1-7,13-15H,8-12H2,(H2,25,33)(H,31,34)(H,28,29,30)
InChIKeyHTGXHURNUFYIPV-UHFFFAOYSA-N
XLogP2.61
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-6-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 135353057
2-[1-[5-[[2-(azepan-1-yl)-5-oxo-6H-pyrimido[4,5-d]pyridazin-4-yl]amino]-2-pyridinyl]piperidin-4-yl]acetonitrile
CID 71269075
2-[1-[4-[[2-(4-isocyanopiperidin-1-yl)-5-oxo-6H-pyrimido[4,5-d]pyridazin-4-yl]amino]phenyl]piperidin-4-yl]acetic acid
CID 123936855
2-[4-(2-aminoethyl)piperidin-1-yl]-4-[4-(hydroxymethyl)anilino]-6H-pyrimido[4,5-d]pyridazin-5-one
CID 129196906
2-[1-[4-[[2-(3-cyanopiperidin-1-yl)-5-oxo-6H-pyrimido[4,5-d]pyridazin-4-yl]amino]phenyl]piperidin-4-yl]acetic acid
CID 71268946
2-[1-[4-[[2-(azepan-1-yl)-5-oxo-6H-pyrimido[4,5-d]pyridazin-4-yl]amino]phenyl]piperidin-4-yl]-2-methylpropanoic acid
CID 71269050
2-[4-(aminomethyl)piperidin-1-yl]-4-[4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]anilino]-6H-pyrimido[4,5-d]pyridazin-5-one
CID 71275925
1-[4-[[2-(4-isocyanopiperidin-1-yl)-5-oxo-6H-pyrimido[4,5-d]pyridazin-4-yl]amino]phenyl]piperidine-4-carboxylic acid
CID 123534814
2-[4-(2-aminoethyl)piperidin-1-yl]-4-[4-(difluoromethoxy)anilino]-6H-pyrimido[4,5-d]pyridazin-5-one
CID 137425978
6-[4-[[2-[4-(cyanomethyl)piperidin-1-yl]-5-oxo-6H-pyrimido[4,5-d]pyridazin-4-yl]amino]phenyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 71269123
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
2-(azepan-1-yl)-4-[4-(2-ethyltetrazol-5-yl)anilino]-6H-pyrimido[4,5-d]pyridazin-5-one
CID 71269082

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide (CID 71269115) is 2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2ccc(Nc3nc(-c4ccccc4)nc4cn[nH]c(=O)c34)cn2)CC1.
What is the InChIKey of 2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is HTGXHURNUFYIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c25-19(33)12-15-8-10-32(11-9-15)20-7-6-17(13-26-20)28-23-21-18(14-27-31-24(21)34)29-22(30-23)16-4-2-1-3-5-16/h1-7,13-15H,8-12H2,(H2,25,33)(H,31,34)(H,28,29,30).
What are the key properties of 2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide?
2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 456.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[(5-oxo-2-phenyl-6H-pyrimido[4,5-d]pyridazin-4-yl)amino]-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 71269115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).