(3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

C22H19N3O2 — CID 171706190

IUPAC(3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESO=C(c1cc2occ(-c3cccnc3)c2[nH]1)N1CCCc2ccccc2C1
InChIInChI=1S/C22H19N3O2/c26-22(25-10-4-8-15-5-1-2-6-17(15)13-25)19-11-20-21(24-19)18(14-27-20)16-7-3-9-23-12-16/h1-3,5-7,9,11-12,14,24H,4,8,10,13H2
InChIKeySYROCCPLRYZTHQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.41
Rot. Bonds2

About (3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

(3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (PubChem CID 171706190) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.

Molecular Properties

Compound Name(3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
PubChem CID171706190
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name(3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESO=C(c1cc2occ(-c3cccnc3)c2[nH]1)N1CCCc2ccccc2C1
InChIInChI=1S/C22H19N3O2/c26-22(25-10-4-8-15-5-1-2-6-17(15)13-25)19-11-20-21(24-19)18(14-27-20)16-7-3-9-23-12-16/h1-3,5-7,9,11-12,14,24H,4,8,10,13H2
InChIKeySYROCCPLRYZTHQ-UHFFFAOYSA-N
XLogP4.41
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The IUPAC name of (3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (CID 171706190) is (3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.
What is the SMILES notation for (3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The canonical SMILES for (3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is O=C(c1cc2occ(-c3cccnc3)c2[nH]1)N1CCCc2ccccc2C1.
What is the InChIKey of (3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The InChIKey is SYROCCPLRYZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-22(25-10-4-8-15-5-1-2-6-17(15)13-25)19-11-20-21(24-19)18(14-27-20)16-7-3-9-23-12-16/h1-3,5-7,9,11-12,14,24H,4,8,10,13H2.
What are the key properties of (3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
(3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-yl-4H-furo[3,2-b]pyrrol-5-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is sourced from PubChem (CID 171706190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).