[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

C19H18ClN3O2 — CID 89134303

IUPAC[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESC=C1C=Cc2cc(C(=O)N3CCOCC3)[nH]c2N1c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-2-3-14-12-17(19(24)22-8-10-25-11-9-22)21-18(14)23(13)16-6-4-15(20)5-7-16/h2-7,12,21H,1,8-11H2
InChIKeyBAYIPRPDSXWGMA-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.82
Rot. Bonds2

About [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 89134303) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID89134303
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESC=C1C=Cc2cc(C(=O)N3CCOCC3)[nH]c2N1c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-2-3-14-12-17(19(24)22-8-10-25-11-9-22)21-18(14)23(13)16-6-4-15(20)5-7-16/h2-7,12,21H,1,8-11H2
InChIKeyBAYIPRPDSXWGMA-UHFFFAOYSA-N
XLogP3.82
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone
CID 89134336
2-(4-chlorophenyl)-5-(morpholine-4-carbonyl)isoindole-1,3-dione
CID 2100384
6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone;[6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 160687971
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 82188848
[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone
CID 46389343
2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 3007422
3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
CID 1407609
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
(4-chlorophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]methanone
CID 110363916

Frequently Asked Questions

What is the IUPAC name of [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone (CID 89134303) is [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone is C=C1C=Cc2cc(C(=O)N3CCOCC3)[nH]c2N1c1ccc(Cl)cc1.
What is the InChIKey of [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is BAYIPRPDSXWGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-2-3-14-12-17(19(24)22-8-10-25-11-9-22)21-18(14)23(13)16-6-4-15(20)5-7-16/h2-7,12,21H,1,8-11H2.
What are the key properties of [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 355.83 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 89134303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).