3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane

C22H22N4S — CID 91128831

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane
SMILESCC.Nc1ncc(-c2cccnc2)c2scc(-c3ccc4c(c3)CCN4)c12
InChIInChI=1S/C20H16N4S.C2H6/c21-20-18-16(12-3-4-17-13(8-12)5-7-23-17)11-25-19(18)15(10-24-20)14-2-1-6-22-9-14;1-2/h1-4,6,8-11,23H,5,7H2,(H2,21,24);1-2H3
InChIKeyPCOQGPPEJOJDBM-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.60
Rot. Bonds2

About 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane

3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane (PubChem CID 91128831) has the molecular formula C22H22N4S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane
PubChem CID91128831
Molecular FormulaC22H22N4S
Molecular Weight374.51 g/mol
Exact Mass374.16
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane
SMILESCC.Nc1ncc(-c2cccnc2)c2scc(-c3ccc4c(c3)CCN4)c12
InChIInChI=1S/C20H16N4S.C2H6/c21-20-18-16(12-3-4-17-13(8-12)5-7-23-17)11-25-19(18)15(10-24-20)14-2-1-6-22-9-14;1-2/h1-4,6,8-11,23H,5,7H2,(H2,21,24);1-2H3
InChIKeyPCOQGPPEJOJDBM-UHFFFAOYSA-N
XLogP5.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane with MolForge

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Related Compounds

3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine
CID 59823455
4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine
CID 174693975
7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322450
5-pyrazin-2-yl-2,3-dihydro-1H-indole
CID 63969413
1-[5-[4-amino-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-2,3-dihydroindol-1-yl]-2-phenylethanone;ethane
CID 167497670
1-[4-[4-amino-7-(3-aminophenyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451144
5-(2-methylthiophen-3-yl)-2,3-dihydro-1H-indole
CID 102834212
CID 167497685
CID 167497685
1-[4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451206
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline
CID 62812285
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane (CID 91128831) is 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane is CC.Nc1ncc(-c2cccnc2)c2scc(-c3ccc4c(c3)CCN4)c12.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane?
The InChIKey is PCOQGPPEJOJDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S.C2H6/c21-20-18-16(12-3-4-17-13(8-12)5-7-23-17)11-25-19(18)15(10-24-20)14-2-1-6-22-9-14;1-2/h1-4,6,8-11,23H,5,7H2,(H2,21,24);1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane?
3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane has a molecular weight of 374.51 g/mol, XLogP of 5.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane is sourced from PubChem (CID 91128831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).