3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione

C18H21F2N5O2 — CID 169265599

IUPAC3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(NC3CCNCC3(F)F)cc21
InChIInChI=1S/C18H21F2N5O2/c1-25-13-8-10(22-14-6-7-21-9-18(14,19)20)2-3-11(13)16(24-25)12-4-5-15(26)23-17(12)27/h2-3,8,12,14,21-22H,4-7,9H2,1H3,(H,23,26,27)
InChIKeyBZCPOWCMHJJBJX-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.50
Rot. Bonds3

About 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione

3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 169265599) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione
PubChem CID169265599
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(NC3CCNCC3(F)F)cc21
InChIInChI=1S/C18H21F2N5O2/c1-25-13-8-10(22-14-6-7-21-9-18(14,19)20)2-3-11(13)16(24-25)12-4-5-15(26)23-17(12)27/h2-3,8,12,14,21-22H,4-7,9H2,1H3,(H,23,26,27)
InChIKeyBZCPOWCMHJJBJX-UHFFFAOYSA-N
XLogP1.50
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172587223
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione
CID 178160947
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione
CID 166549772
3-[6-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylindazol-3-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 170313758
(3R,4S)-4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-3-(trifluoromethyl)piperidine-1-carboxylic acid
CID 170313763
tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate
CID 170629691
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
3-[6-[4-[difluoro(piperidin-4-yl)methyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 178161716
3-[1-methyl-6-[3-(piperidin-4-ylmethyl)pyrrolidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170629938
tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
CID 170629792

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione (CID 169265599) is 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc(NC3CCNCC3(F)F)cc21.
What is the InChIKey of 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione?
The InChIKey is BZCPOWCMHJJBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-25-13-8-10(22-14-6-7-21-9-18(14,19)20)2-3-11(13)16(24-25)12-4-5-15(26)23-17(12)27/h2-3,8,12,14,21-22H,4-7,9H2,1H3,(H,23,26,27).
What are the key properties of 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione?
3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 377.40 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 169265599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).