(1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone

C14H17N3OS — CID 166259518

IUPAC(1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2nccc3ccn(C)c23)CCS1
InChIInChI=1S/C14H17N3OS/c1-10-9-17(7-8-19-10)14(18)12-13-11(3-5-15-12)4-6-16(13)2/h3-6,10H,7-9H2,1-2H3
InChIKeyFCIPARQVFSZTNH-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.15
Rot. Bonds1

About (1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone

(1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone (PubChem CID 166259518) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone
PubChem CID166259518
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2nccc3ccn(C)c23)CCS1
InChIInChI=1S/C14H17N3OS/c1-10-9-17(7-8-19-10)14(18)12-13-11(3-5-15-12)4-6-16(13)2/h3-6,10H,7-9H2,1-2H3
InChIKeyFCIPARQVFSZTNH-UHFFFAOYSA-N
XLogP2.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrrolo[2,3-c]pyridin-7-yl)ethanone
CID 154728478
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115696759
(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611722
(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 105387522
(2-fluoro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 107363058
5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 115730350
(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119999097
3-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103337464
3H-benzimidazol-5-yl-(2-methylthiomorpholin-4-yl)methanone
CID 115612080
(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 115665116
(2,3-difluorophenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611669

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone?
The IUPAC name of (1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone (CID 166259518) is (1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for (1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone is CC1CN(C(=O)c2nccc3ccn(C)c23)CCS1.
What is the InChIKey of (1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone?
The InChIKey is FCIPARQVFSZTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-9-17(7-8-19-10)14(18)12-13-11(3-5-15-12)4-6-16(13)2/h3-6,10H,7-9H2,1-2H3.
What are the key properties of (1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone?
(1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone has a molecular weight of 275.38 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 166259518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).