(7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone

C19H19N3O2 — CID 138009786

IUPAC(7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone
SMILESO=C(c1cncc2[nH]ccc12)N1CCOC(c2ccccc2)CC1
InChIInChI=1S/C19H19N3O2/c23-19(16-12-20-13-17-15(16)6-8-21-17)22-9-7-18(24-11-10-22)14-4-2-1-3-5-14/h1-6,8,12-13,18,21H,7,9-11H2
InChIKeyGRHZSCBRQOTUMC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.17
Rot. Bonds2

About (7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone

(7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone (PubChem CID 138009786) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone
PubChem CID138009786
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone
SMILESO=C(c1cncc2[nH]ccc12)N1CCOC(c2ccccc2)CC1
InChIInChI=1S/C19H19N3O2/c23-19(16-12-20-13-17-15(16)6-8-21-17)22-9-7-18(24-11-10-22)14-4-2-1-3-5-14/h1-6,8,12-13,18,21H,7,9-11H2
InChIKeyGRHZSCBRQOTUMC-UHFFFAOYSA-N
XLogP3.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone?
The IUPAC name of (7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone (CID 138009786) is (7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone.
What is the SMILES notation for (7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone?
The canonical SMILES for (7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone is O=C(c1cncc2[nH]ccc12)N1CCOC(c2ccccc2)CC1.
What is the InChIKey of (7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone?
The InChIKey is GRHZSCBRQOTUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(16-12-20-13-17-15(16)6-8-21-17)22-9-7-18(24-11-10-22)14-4-2-1-3-5-14/h1-6,8,12-13,18,21H,7,9-11H2.
What are the key properties of (7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone?
(7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone is sourced from PubChem (CID 138009786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).