(5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone

C13H14ClN3O2 — CID 169156885

IUPAC(5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESCn1c(C(=O)N2CCOCC2)cc2nc(Cl)ccc21
InChIInChI=1S/C13H14ClN3O2/c1-16-10-2-3-12(14)15-9(10)8-11(16)13(18)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3
InChIKeyYNVMISCIBODSAE-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.70
Rot. Bonds1

About (5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone

(5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone (PubChem CID 169156885) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is (5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
PubChem CID169156885
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name(5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESCn1c(C(=O)N2CCOCC2)cc2nc(Cl)ccc21
InChIInChI=1S/C13H14ClN3O2/c1-16-10-2-3-12(14)15-9(10)8-11(16)13(18)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3
InChIKeyYNVMISCIBODSAE-UHFFFAOYSA-N
XLogP1.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone
CID 72940609
(1,5-dimethylindol-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 46979809
5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 84665767
(4,7-dimethoxy-1-methylindol-2-yl)-morpholin-4-ylmethanone
CID 86207297
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 851996
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974873
(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110853525
(6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-[(3S)-3-(3-chlorophenyl)morpholin-4-yl]methanone
CID 178095394

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone (CID 169156885) is (5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone is Cn1c(C(=O)N2CCOCC2)cc2nc(Cl)ccc21.
What is the InChIKey of (5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is YNVMISCIBODSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-16-10-2-3-12(14)15-9(10)8-11(16)13(18)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3.
What are the key properties of (5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone?
(5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 279.73 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylpyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 169156885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).