[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone

C17H24N4O3 — CID 95711696

IUPAC[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone
SMILESCOc1ccc2[nH]nc(C(=O)N3CCC[C@](O)(CN(C)C)C3)c2c1
InChIInChI=1S/C17H24N4O3/c1-20(2)10-17(23)7-4-8-21(11-17)16(22)15-13-9-12(24-3)5-6-14(13)18-19-15/h5-6,9,23H,4,7-8,10-11H2,1-3H3,(H,18,19)/t17-/m0/s1
InChIKeyOGTISNVAOZXFMI-KRWDZBQOSA-N
MW332.40 g/mol
LogP1.10
Rot. Bonds4

About [(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone

[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone (PubChem CID 95711696) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone
PubChem CID95711696
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone
SMILESCOc1ccc2[nH]nc(C(=O)N3CCC[C@](O)(CN(C)C)C3)c2c1
InChIInChI=1S/C17H24N4O3/c1-20(2)10-17(23)7-4-8-21(11-17)16(22)15-13-9-12(24-3)5-6-14(13)18-19-15/h5-6,9,23H,4,7-8,10-11H2,1-3H3,(H,18,19)/t17-/m0/s1
InChIKeyOGTISNVAOZXFMI-KRWDZBQOSA-N
XLogP1.10
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate
CID 56890831
8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70752123
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56914584
[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 45197321
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78868617
(4aS,8aR)-6-(5-methoxy-1H-indazole-3-carbonyl)-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70736289
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 172661402
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
CID 86286647
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(3-pyrimidin-2-ylphenyl)methanone
CID 125155658
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 124994936
2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 166265290

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone?
The IUPAC name of [(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone (CID 95711696) is [(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone is COc1ccc2[nH]nc(C(=O)N3CCC[C@](O)(CN(C)C)C3)c2c1.
What is the InChIKey of [(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone?
The InChIKey is OGTISNVAOZXFMI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20(2)10-17(23)7-4-8-21(11-17)16(22)15-13-9-12(24-3)5-6-14(13)18-19-15/h5-6,9,23H,4,7-8,10-11H2,1-3H3,(H,18,19)/t17-/m0/s1.
What are the key properties of [(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone?
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone is sourced from PubChem (CID 95711696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).