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

C18H22FN5O2 — CID 172587223

IUPAC3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(N[C@@H]3CCNC[C@@H]3F)cc21
InChIInChI=1S/C18H22FN5O2/c1-24-15-8-10(21-14-6-7-20-9-13(14)19)2-3-11(15)17(23-24)12-4-5-16(25)22-18(12)26/h2-3,8,12-14,20-21H,4-7,9H2,1H3,(H,22,25,26)/t12?,13-,14+/m0/s1
InChIKeyCPEBOALAEZSARU-KFTPUPIBSA-N
MW359.41 g/mol
LogP1.21
Rot. Bonds3

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

3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 172587223) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione
PubChem CID172587223
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(N[C@@H]3CCNC[C@@H]3F)cc21
InChIInChI=1S/C18H22FN5O2/c1-24-15-8-10(21-14-6-7-20-9-13(14)19)2-3-11(15)17(23-24)12-4-5-16(25)22-18(12)26/h2-3,8,12-14,20-21H,4-7,9H2,1H3,(H,22,25,26)/t12?,13-,14+/m0/s1
InChIKeyCPEBOALAEZSARU-KFTPUPIBSA-N
XLogP1.21
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.21
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-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 169265599
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-[6-[4-[[(3R,4R)-3-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170432425
(3R,4S)-4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-3-(trifluoromethyl)piperidine-1-carboxylic acid
CID 170313763
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
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-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321853
3-[6-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylindazol-3-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 170313758
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 (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate
CID 170629691

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione (CID 172587223) is 3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc(N[C@@H]3CCNC[C@@H]3F)cc21.
What is the InChIKey of 3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione?
The InChIKey is CPEBOALAEZSARU-KFTPUPIBSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-24-15-8-10(21-14-6-7-20-9-13(14)19)2-3-11(15)17(23-24)12-4-5-16(25)22-18(12)26/h2-3,8,12-14,20-21H,4-7,9H2,1H3,(H,22,25,26)/t12?,13-,14+/m0/s1.
What are the key properties of 3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione?
3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 359.41 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 172587223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).