3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione

C20H22N4O3 — CID 164596399

IUPAC3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione
SMILESCc1nn(C2CCC(=O)NC2=O)c2cccc(C#CCO[C@@H]3CCNC3)c12
InChIInChI=1S/C20H22N4O3/c1-13-19-14(5-3-11-27-15-9-10-21-12-15)4-2-6-16(19)24(23-13)17-7-8-18(25)22-20(17)26/h2,4,6,15,17,21H,7-12H2,1H3,(H,22,25,26)/t15-,17?/m1/s1
InChIKeySAODERWDNAAEIZ-LDCVWXEPSA-N
MW366.42 g/mol
LogP1.05
Rot. Bonds3

About 3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione

3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione (PubChem CID 164596399) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione
PubChem CID164596399
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione
SMILESCc1nn(C2CCC(=O)NC2=O)c2cccc(C#CCO[C@@H]3CCNC3)c12
InChIInChI=1S/C20H22N4O3/c1-13-19-14(5-3-11-27-15-9-10-21-12-15)4-2-6-16(19)24(23-13)17-7-8-18(25)22-20(17)26/h2,4,6,15,17,21H,7-12H2,1H3,(H,22,25,26)/t15-,17?/m1/s1
InChIKeySAODERWDNAAEIZ-LDCVWXEPSA-N
XLogP1.05
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-methyl-1-piperidin-3-ylindazol-4-yl)prop-2-ynoxy]cyclohexan-1-one
CID 175761399
3-[4-[3-[1-[[4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methyl]piperidin-4-yl]oxyprop-1-ynyl]-3-methylindazol-1-yl]piperidine-2,6-dione
CID 175761280
3-[4-[3-[(3R,4S)-3-fluoropiperidin-4-yl]oxyprop-1-ynyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 169120703
3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
CID 164596403
3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175469479
3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione
CID 176931807
N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164596409
N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164596380
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
CID 171801888
1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-4-(3-piperidin-4-yloxyprop-1-ynyl)benzimidazol-2-one
CID 164567754
tert-butyl (3R)-3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]prop-2-ynoxy]pyrrolidine-1-carboxylate
CID 138728350
3-[4-[3-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]oxyprop-1-ynyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168931828

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione (CID 164596399) is 3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione is Cc1nn(C2CCC(=O)NC2=O)c2cccc(C#CCO[C@@H]3CCNC3)c12.
What is the InChIKey of 3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione?
The InChIKey is SAODERWDNAAEIZ-LDCVWXEPSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-19-14(5-3-11-27-15-9-10-21-12-15)4-2-6-16(19)24(23-13)17-7-8-18(25)22-20(17)26/h2,4,6,15,17,21H,7-12H2,1H3,(H,22,25,26)/t15-,17?/m1/s1.
What are the key properties of 3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione?
3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione has a molecular weight of 366.42 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 164596399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).