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

C19H19N3O — CID 159523081

IUPAC3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
SMILESc1cc(C2=NCc3ccc(OC4CC4)cc32)cc(N2CCC2)n1
InChIInChI=1S/C19H19N3O/c1-8-22(9-1)18-10-13(6-7-20-18)19-17-11-16(23-15-4-5-15)3-2-14(17)12-21-19/h2-3,6-7,10-11,15H,1,4-5,8-9,12H2
InChIKeyWSUNRTTVEIAQIA-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.18
Rot. Bonds4

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

3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole (PubChem CID 159523081) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
PubChem CID159523081
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
SMILESc1cc(C2=NCc3ccc(OC4CC4)cc32)cc(N2CCC2)n1
InChIInChI=1S/C19H19N3O/c1-8-22(9-1)18-10-13(6-7-20-18)19-17-11-16(23-15-4-5-15)3-2-14(17)12-21-19/h2-3,6-7,10-11,15H,1,4-5,8-9,12H2
InChIKeyWSUNRTTVEIAQIA-UHFFFAOYSA-N
XLogP3.18
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole
CID 147891410
4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine
CID 158186722
1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 158273269
N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
CID 158445506
4-[3-(2-piperazin-1-yl-4-pyridinyl)-1H-isoindol-5-yl]-1H-pyridin-2-one
CID 159102861
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
[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
1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 159016860
7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 159477110
1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
CID 160954151

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole?
The IUPAC name of 3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole (CID 159523081) is 3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole.
What is the SMILES notation for 3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole?
The canonical SMILES for 3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole is c1cc(C2=NCc3ccc(OC4CC4)cc32)cc(N2CCC2)n1.
What is the InChIKey of 3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole?
The InChIKey is WSUNRTTVEIAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-8-22(9-1)18-10-13(6-7-20-18)19-17-11-16(23-15-4-5-15)3-2-14(17)12-21-19/h2-3,6-7,10-11,15H,1,4-5,8-9,12H2.
What are the key properties of 3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole?
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole has a molecular weight of 305.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole is sourced from PubChem (CID 159523081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).