3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione

C19H25N5O2 — CID 170629752

IUPAC3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2cccc(NC[C@@H]3CCCNC3)c21
InChIInChI=1S/C19H25N5O2/c1-24-18-13(17(23-24)14-7-8-16(25)22-19(14)26)5-2-6-15(18)21-11-12-4-3-9-20-10-12/h2,5-6,12,14,20-21H,3-4,7-11H2,1H3,(H,22,25,26)/t12-,14?/m1/s1
InChIKeyFLRWAKZDIQLHJE-PUODRLBUSA-N
MW355.44 g/mol
LogP1.50
Rot. Bonds4

About 3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione

3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione (PubChem CID 170629752) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
PubChem CID170629752
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2cccc(NC[C@@H]3CCCNC3)c21
InChIInChI=1S/C19H25N5O2/c1-24-18-13(17(23-24)14-7-8-16(25)22-19(14)26)5-2-6-15(18)21-11-12-4-3-9-20-10-12/h2,5-6,12,14,20-21H,3-4,7-11H2,1H3,(H,22,25,26)/t12-,14?/m1/s1
InChIKeyFLRWAKZDIQLHJE-PUODRLBUSA-N
XLogP1.50
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-methyl-7-[[(2S)-pyrrolidin-2-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
CID 170629913
3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 175963231
3-[1-methyl-7-[4-(piperidin-4-ylmethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170433398
3-[1-methyl-7-[3-(piperidin-4-ylmethyl)azetidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432760
3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione
CID 172587109
3-[7-[3,3-dimethyl-4-(piperidin-4-ylmethyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170434301
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione
CID 170027641
3-[1-methyl-7-[4-[[(2S)-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170433645
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperazine-1-carboxylate
CID 170321259
8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid
CID 170433167

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione (CID 170629752) is 3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2cccc(NC[C@@H]3CCCNC3)c21.
What is the InChIKey of 3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione?
The InChIKey is FLRWAKZDIQLHJE-PUODRLBUSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-24-18-13(17(23-24)14-7-8-16(25)22-19(14)26)5-2-6-15(18)21-11-12-4-3-9-20-10-12/h2,5-6,12,14,20-21H,3-4,7-11H2,1H3,(H,22,25,26)/t12-,14?/m1/s1.
What are the key properties of 3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 355.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170629752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).