2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one

C23H25N5O3 — CID 122334648

IUPAC2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C23H25N5O3/c29-18-16-20(31-19-7-3-2-6-17(18)19)23(30)28-14-12-27(13-15-28)22-9-8-21(24-25-22)26-10-4-1-5-11-26/h2-3,6-9,16H,1,4-5,10-15H2
InChIKeyOHLXVDAVPBHISK-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.54
Rot. Bonds3

About 2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one

2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one (PubChem CID 122334648) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
PubChem CID122334648
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C23H25N5O3/c29-18-16-20(31-19-7-3-2-6-17(18)19)23(30)28-14-12-27(13-15-28)22-9-8-21(24-25-22)26-10-4-1-5-11-26/h2-3,6-9,16H,1,4-5,10-15H2
InChIKeyOHLXVDAVPBHISK-UHFFFAOYSA-N
XLogP2.54
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one
CID 9081959
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
CID 91817838
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335220
2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
CID 90517016
1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341571
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
2-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]chromen-4-one
CID 55620728
2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one
CID 27563251
naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053800
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one (CID 122334648) is 2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of 2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one?
The InChIKey is OHLXVDAVPBHISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-18-16-20(31-19-7-3-2-6-17(18)19)23(30)28-14-12-27(13-15-28)22-9-8-21(24-25-22)26-10-4-1-5-11-26/h2-3,6-9,16H,1,4-5,10-15H2.
What are the key properties of 2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one?
2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one has a molecular weight of 419.49 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 122334648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).