5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole

C21H21F2N3O — CID 147891410

IUPAC5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole
SMILESFC1(F)CCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)CC1
InChIInChI=1S/C21H21F2N3O/c22-21(23)6-9-26(10-7-21)19-11-14(5-8-24-19)20-18-12-17(27-16-3-4-16)2-1-15(18)13-25-20/h1-2,5,8,11-12,16H,3-4,6-7,9-10,13H2
InChIKeyICIURGGDHJIALS-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.21
Rot. Bonds4

About 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole

5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole (PubChem CID 147891410) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole.

Molecular Properties

Compound Name5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole
PubChem CID147891410
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole
SMILESFC1(F)CCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)CC1
InChIInChI=1S/C21H21F2N3O/c22-21(23)6-9-26(10-7-21)19-11-14(5-8-24-19)20-18-12-17(27-16-3-4-16)2-1-15(18)13-25-20/h1-2,5,8,11-12,16H,3-4,6-7,9-10,13H2
InChIKeyICIURGGDHJIALS-UHFFFAOYSA-N
XLogP4.21
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081
1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 158273269
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(furan-3-yl)-1H-isoindole
CID 161136577
7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
CID 158445506
3-cyclopropyloxy-8-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 90399905
4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine
CID 158186722
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 159606207
1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 159477110
(2S,3S,4S)-2-methyl-1-[4-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 159262084

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole?
The IUPAC name of 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole (CID 147891410) is 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole.
What is the SMILES notation for 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole?
The canonical SMILES for 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole is FC1(F)CCN(c2cc(C3=NCc4ccc(OC5CC5)cc43)ccn2)CC1.
What is the InChIKey of 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole?
The InChIKey is ICIURGGDHJIALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c22-21(23)6-9-26(10-7-21)19-11-14(5-8-24-19)20-18-12-17(27-16-3-4-16)2-1-15(18)13-25-20/h1-2,5,8,11-12,16H,3-4,6-7,9-10,13H2.
What are the key properties of 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole?
5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole has a molecular weight of 369.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole is sourced from PubChem (CID 147891410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).