1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one

C22H22N4O3 — CID 158135667

IUPAC1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1n[nH]c2cc(O)c(C(=O)N3Cc4ccccc4C3)cc12
InChIInChI=1S/C22H22N4O3/c27-20-10-18-16(19(24-23-18)13-25-8-4-3-7-21(25)28)9-17(20)22(29)26-11-14-5-1-2-6-15(14)12-26/h1-2,5-6,9-10,27H,3-4,7-8,11-13H2,(H,23,24)
InChIKeyFTHWDBBDHFPHJD-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.94
Rot. Bonds3

About 1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one

1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one (PubChem CID 158135667) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
PubChem CID158135667
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1n[nH]c2cc(O)c(C(=O)N3Cc4ccccc4C3)cc12
InChIInChI=1S/C22H22N4O3/c27-20-10-18-16(19(24-23-18)13-25-8-4-3-7-21(25)28)9-17(20)22(29)26-11-14-5-1-2-6-15(14)12-26/h1-2,5-6,9-10,27H,3-4,7-8,11-13H2,(H,23,24)
InChIKeyFTHWDBBDHFPHJD-UHFFFAOYSA-N
XLogP2.94
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(5-bromo-1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
CID 158757357
1-[[6-hydroxy-5-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindole-2-carbonyl]-1H-indazol-3-yl]methyl]pyrrolidin-2-one
CID 162311413
1-[[6-hydroxy-5-[5-[2-(propan-2-ylamino)ethoxy]-1,3-dihydroisoindole-2-carbonyl]-1H-indazol-3-yl]methyl]pyrrolidin-2-one
CID 140554861
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone
CID 140554893
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(propan-2-yloxymethyl)-1H-indazol-5-yl]methanone
CID 140554944
(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 173065697
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
CID 140554831
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(oxan-4-ylmethyl)-1H-indazol-5-yl]methanone
CID 140554815
1-[[6-hydroxy-5-[5-[2-(propan-2-ylamino)ethoxy]-1,3,3a,7a-tetrahydroisoindole-2-carbonyl]-1H-indazol-3-yl]methyl]piperidin-2-one
CID 147632864
N-[2-(dimethylamino)ethyl]-2-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazole-5-carbonyl]-1,3-dihydroisoindole-5-carboxamide
CID 140554892
[5-[2-[ethyl(methyl)amino]ethoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazol-5-yl]methanone
CID 140554838
[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone
CID 154063847

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one (CID 158135667) is 1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one is O=C1CCCCN1Cc1n[nH]c2cc(O)c(C(=O)N3Cc4ccccc4C3)cc12.
What is the InChIKey of 1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one?
The InChIKey is FTHWDBBDHFPHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-20-10-18-16(19(24-23-18)13-25-8-4-3-7-21(25)28)9-17(20)22(29)26-11-14-5-1-2-6-15(14)12-26/h1-2,5-6,9-10,27H,3-4,7-8,11-13H2,(H,23,24).
What are the key properties of 1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one?
1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one has a molecular weight of 390.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one is sourced from PubChem (CID 158135667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).