(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C13H10N2OS — CID 102626646

IUPAC(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESCc1cscc1C(=O)c1c[nH]c2ccncc12
InChIInChI=1S/C13H10N2OS/c1-8-6-17-7-11(8)13(16)10-5-15-12-2-3-14-4-9(10)12/h2-7,15H,1H3
InChIKeyYDIUERFVVWWPDH-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.16
Rot. Bonds2

About (4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 102626646) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID102626646
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESCc1cscc1C(=O)c1c[nH]c2ccncc12
InChIInChI=1S/C13H10N2OS/c1-8-6-17-7-11(8)13(16)10-5-15-12-2-3-14-4-9(10)12/h2-7,15H,1H3
InChIKeyYDIUERFVVWWPDH-UHFFFAOYSA-N
XLogP3.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone
CID 79802966
1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626680
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
CID 102626397
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626742
(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 114029204
(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 106683904
ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine
CID 143713533
1-benzothiophen-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626609
(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626876
(2-fluoro-6-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626762
(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626921
(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626761

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of (4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 102626646) is (4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for (4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for (4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is Cc1cscc1C(=O)c1c[nH]c2ccncc12.
What is the InChIKey of (4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is YDIUERFVVWWPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-8-6-17-7-11(8)13(16)10-5-15-12-2-3-14-4-9(10)12/h2-7,15H,1H3.
What are the key properties of (4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 242.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 102626646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).