6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one

C21H23N5O3 — CID 95797603

IUPAC6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1
InChIInChI=1S/C21H23N5O3/c27-19-10-9-17(18-8-4-12-29-18)24-26(19)14-5-3-11-25(13-14)21(28)20-15-6-1-2-7-16(15)22-23-20/h4,8-10,12,14H,1-3,5-7,11,13H2,(H,22,23)/t14-/m1/s1
InChIKeyATSMLLOVPVYNAP-CQSZACIVSA-N
MW393.45 g/mol
LogP2.58
Rot. Bonds3

About 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one

6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one (PubChem CID 95797603) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one
PubChem CID95797603
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1
InChIInChI=1S/C21H23N5O3/c27-19-10-9-17(18-8-4-12-29-18)24-26(19)14-5-3-11-25(13-14)21(28)20-15-6-1-2-7-16(15)22-23-20/h4,8-10,12,14H,1-3,5-7,11,13H2,(H,22,23)/t14-/m1/s1
InChIKeyATSMLLOVPVYNAP-CQSZACIVSA-N
XLogP2.58
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one with MolForge

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Related Compounds

6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 110214053
6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 95797593
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
CID 16671079
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one
CID 92565659
1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 167785364
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 124966908
3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72929646
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one (CID 95797603) is 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one is O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1.
What is the InChIKey of 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one?
The InChIKey is ATSMLLOVPVYNAP-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-19-10-9-17(18-8-4-12-29-18)24-26(19)14-5-3-11-25(13-14)21(28)20-15-6-1-2-7-16(15)22-23-20/h4,8-10,12,14H,1-3,5-7,11,13H2,(H,22,23)/t14-/m1/s1.
What are the key properties of 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one?
6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one has a molecular weight of 393.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 95797603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).