1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

C18H17N3O — CID 157016726

IUPAC1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2n1)N1CCc2ccccc2CC1
InChIInChI=1S/C18H17N3O/c22-18(16-6-5-15-7-10-19-17(15)20-16)21-11-8-13-3-1-2-4-14(13)9-12-21/h1-7,10H,8-9,11-12H2,(H,19,20)
InChIKeyOFJAJQPQCLTJAE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.80
Rot. Bonds1

About 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (PubChem CID 157016726) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
PubChem CID157016726
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2n1)N1CCc2ccccc2CC1
InChIInChI=1S/C18H17N3O/c22-18(16-6-5-15-7-10-19-17(15)20-16)21-11-8-13-3-1-2-4-14(13)9-12-21/h1-7,10H,8-9,11-12H2,(H,19,20)
InChIKeyOFJAJQPQCLTJAE-UHFFFAOYSA-N
XLogP2.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone with MolForge

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Related Compounds

(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127777972
(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778414
[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778121
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778417
1-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethanone
CID 71743048
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
cyclopropyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 69009468
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 163318268
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 166222428

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (CID 157016726) is 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is O=C(c1ccc2cc[nH]c2n1)N1CCc2ccccc2CC1.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The InChIKey is OFJAJQPQCLTJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(16-6-5-15-7-10-19-17(15)20-16)21-11-8-13-3-1-2-4-14(13)9-12-21/h1-7,10H,8-9,11-12H2,(H,19,20).
What are the key properties of 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is sourced from PubChem (CID 157016726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).