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

C17H20N4O2 — CID 170321612

IUPAC3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc([C@H]3CCNC3)cc21
InChIInChI=1S/C17H20N4O2/c1-21-14-8-10(11-6-7-18-9-11)2-3-12(14)16(20-21)13-4-5-15(22)19-17(13)23/h2-3,8,11,13,18H,4-7,9H2,1H3,(H,19,22,23)/t11-,13?/m0/s1
InChIKeyYGSNZSBPRBVNBO-AMGKYWFPSA-N
MW312.37 g/mol
LogP1.17
Rot. Bonds2

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

3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione (PubChem CID 170321612) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
PubChem CID170321612
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc([C@H]3CCNC3)cc21
InChIInChI=1S/C17H20N4O2/c1-21-14-8-10(11-6-7-18-9-11)2-3-12(14)16(20-21)13-4-5-15(22)19-17(13)23/h2-3,8,11,13,18H,4-7,9H2,1H3,(H,19,22,23)/t11-,13?/m0/s1
InChIKeyYGSNZSBPRBVNBO-AMGKYWFPSA-N
XLogP1.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione (CID 170321612) is 3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc([C@H]3CCNC3)cc21.
What is the InChIKey of 3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione?
The InChIKey is YGSNZSBPRBVNBO-AMGKYWFPSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21-14-8-10(11-6-7-18-9-11)2-3-12(14)16(20-21)13-4-5-15(22)19-17(13)23/h2-3,8,11,13,18H,4-7,9H2,1H3,(H,19,22,23)/t11-,13?/m0/s1.
What are the key properties of 3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 312.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170321612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).