6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one

C21H21N3O2 — CID 58217067

IUPAC6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(-c3ccc4[nH]ccc4c3)cc2N1CC1CCOCC1
InChIInChI=1S/C21H21N3O2/c25-21-11-19-20(24(21)13-14-4-7-26-8-5-14)10-17(12-23-19)15-1-2-18-16(9-15)3-6-22-18/h1-3,6,9-10,12,14,22H,4-5,7-8,11,13H2
InChIKeyDZMGWCJEYRLQBA-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.55
Rot. Bonds3

About 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one

6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 58217067) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID58217067
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(-c3ccc4[nH]ccc4c3)cc2N1CC1CCOCC1
InChIInChI=1S/C21H21N3O2/c25-21-11-19-20(24(21)13-14-4-7-26-8-5-14)10-17(12-23-19)15-1-2-18-16(9-15)3-6-22-18/h1-3,6,9-10,12,14,22H,4-5,7-8,11,13H2
InChIKeyDZMGWCJEYRLQBA-UHFFFAOYSA-N
XLogP3.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one with MolForge

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Related Compounds

Brevianamide F
CID 181567
Phenylglycine-01
CID 4695397
Cyclo-(L-Trp-L-Trp)
CID 7091706
1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one
CID 16219401
(3Z)-1,3-Dihydro-3-((1-methyl-1H-indol-3-yl)methylene)-2H-pyrrolo(3,2-b)pyridin-2-one
CID 9943465
Bisindolylmaleimide VII
CID 2402
Bisindolyl deriv. 21
CID 5327734
JAK3 inhibitor VI
CID 9947841
(2S)-2-amino-3-(1H-indol-3-yl)-N-{5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}propanamide
CID 10172738
4-methyl-1-oxo-N-pyridin-3-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951576
N-(6-carbamoyl-3-pyridinyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 44143526
Indole-based 6-membered lactam, 3a
CID 44143543

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one (CID 58217067) is 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one is O=C1Cc2ncc(-c3ccc4[nH]ccc4c3)cc2N1CC1CCOCC1.
What is the InChIKey of 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is DZMGWCJEYRLQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21-11-19-20(24(21)13-14-4-7-26-8-5-14)10-17(12-23-19)15-1-2-18-16(9-15)3-6-22-18/h1-3,6,9-10,12,14,22H,4-5,7-8,11,13H2.
What are the key properties of 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 347.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-1-(oxan-4-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 58217067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).