(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone

C13H15N3O2 — CID 167445658

IUPAC(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESCc1ccc2[nH]c(C(=O)N3CCOCC3)cc2n1
InChIInChI=1S/C13H15N3O2/c1-9-2-3-10-11(14-9)8-12(15-10)13(17)16-4-6-18-7-5-16/h2-3,8,15H,4-7H2,1H3
InChIKeyJZMRRDHEJGCYLG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.34
Rot. Bonds1

About (5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone

(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone (PubChem CID 167445658) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
PubChem CID167445658
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESCc1ccc2[nH]c(C(=O)N3CCOCC3)cc2n1
InChIInChI=1S/C13H15N3O2/c1-9-2-3-10-11(14-9)8-12(15-10)13(17)16-4-6-18-7-5-16/h2-3,8,15H,4-7H2,1H3
InChIKeyJZMRRDHEJGCYLG-UHFFFAOYSA-N
XLogP1.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
CID 178095122
3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
CID 22391000
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
(6-ethyl-7-fluoro-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 176934668
morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone
CID 69282983
7-methyl-3-(morpholine-4-carbonyl)-6-morpholin-4-yl-1H-quinoxalin-2-one
CID 59874499
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
(6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone
CID 129160689
[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
CID 72846429

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone (CID 167445658) is (5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone is Cc1ccc2[nH]c(C(=O)N3CCOCC3)cc2n1.
What is the InChIKey of (5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is JZMRRDHEJGCYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-2-3-10-11(14-9)8-12(15-10)13(17)16-4-6-18-7-5-16/h2-3,8,15H,4-7H2,1H3.
What are the key properties of (5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone?
(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 245.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 167445658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).