7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one

C22H28FN5O2 — CID 171461246

IUPAC7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one
SMILESCCNc1cc(F)cc2c1NC(=O)C2(C)N1CCC[C@@H](Nc2ccc(CO)nc2)C1
InChIInChI=1S/C22H28FN5O2/c1-3-24-19-10-14(23)9-18-20(19)27-21(30)22(18,2)28-8-4-5-16(12-28)26-15-6-7-17(13-29)25-11-15/h6-7,9-11,16,24,26,29H,3-5,8,12-13H2,1-2H3,(H,27,30)/t16-,22?/m1/s1
InChIKeyOIOZMYYUAFVWIQ-XESZBRCGSA-N
MW413.50 g/mol
LogP2.89
Rot. Bonds6

About 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one

7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one (PubChem CID 171461246) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one
PubChem CID171461246
Molecular FormulaC22H28FN5O2
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC Name7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one
SMILESCCNc1cc(F)cc2c1NC(=O)C2(C)N1CCC[C@@H](Nc2ccc(CO)nc2)C1
InChIInChI=1S/C22H28FN5O2/c1-3-24-19-10-14(23)9-18-20(19)27-21(30)22(18,2)28-8-4-5-16(12-28)26-15-6-7-17(13-29)25-11-15/h6-7,9-11,16,24,26,29H,3-5,8,12-13H2,1-2H3,(H,27,30)/t16-,22?/m1/s1
InChIKeyOIOZMYYUAFVWIQ-XESZBRCGSA-N
XLogP2.89
TPSA89.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one?
The IUPAC name of 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one (CID 171461246) is 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one.
What is the SMILES notation for 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one?
The canonical SMILES for 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one is CCNc1cc(F)cc2c1NC(=O)C2(C)N1CCC[C@@H](Nc2ccc(CO)nc2)C1.
What is the InChIKey of 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one?
The InChIKey is OIOZMYYUAFVWIQ-XESZBRCGSA-N. The full InChI is InChI=1S/C22H28FN5O2/c1-3-24-19-10-14(23)9-18-20(19)27-21(30)22(18,2)28-8-4-5-16(12-28)26-15-6-7-17(13-29)25-11-15/h6-7,9-11,16,24,26,29H,3-5,8,12-13H2,1-2H3,(H,27,30)/t16-,22?/m1/s1.
What are the key properties of 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one?
7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one has a molecular weight of 413.50 g/mol, XLogP of 2.89, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-5-fluoro-3-[(3R)-3-[[6-(hydroxymethyl)-3-pyridinyl]amino]piperidin-1-yl]-3-methyl-1H-indol-2-one is sourced from PubChem (CID 171461246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).