4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine

C22H20N4O2S2 — CID 174693975

IUPAC4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine
SMILESNc1ncc(-c2ccc(CNS(=O)O)cc2)c2scc(-c3ccc4c(c3)CCN4)c12
InChIInChI=1S/C22H20N4O2S2/c23-22-20-18(15-5-6-19-16(9-15)7-8-24-19)12-29-21(20)17(11-25-22)14-3-1-13(2-4-14)10-26-30(27)28/h1-6,9,11-12,24,26H,7-8,10H2,(H2,23,25)(H,27,28)
InChIKeyPYNSNRWRCTZEOP-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.41
Rot. Bonds5

About 4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine

4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine (PubChem CID 174693975) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine
PubChem CID174693975
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC Name4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine
SMILESNc1ncc(-c2ccc(CNS(=O)O)cc2)c2scc(-c3ccc4c(c3)CCN4)c12
InChIInChI=1S/C22H20N4O2S2/c23-22-20-18(15-5-6-19-16(9-15)7-8-24-19)12-29-21(20)17(11-25-22)14-3-1-13(2-4-14)10-26-30(27)28/h1-6,9,11-12,24,26H,7-8,10H2,(H2,23,25)(H,27,28)
InChIKeyPYNSNRWRCTZEOP-UHFFFAOYSA-N
XLogP4.41
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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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
3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine;ethane
CID 91128831
4-amino-3-(4-aminophenyl)-7-[4-[(sulfinatoamino)methyl]phenyl]thieno[3,2-c]pyridine
CID 141110430
[4-[4-amino-3-(2-methyl-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfinate
CID 174509712
3-(4-aminophenyl)-7-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 18450714
1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea
CID 174509720
1-[4-[4-amino-7-(1,3-benzodioxol-5-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-chlorophenyl)urea
CID 18450970
CID 167497685
CID 167497685
7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322450
N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide
CID 18450942
5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine
CID 70226179
1-[4-[4-amino-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 70685599

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine?
The IUPAC name of 4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine (CID 174693975) is 4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine is Nc1ncc(-c2ccc(CNS(=O)O)cc2)c2scc(-c3ccc4c(c3)CCN4)c12.
What is the InChIKey of 4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine?
The InChIKey is PYNSNRWRCTZEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c23-22-20-18(15-5-6-19-16(9-15)7-8-24-19)12-29-21(20)17(11-25-22)14-3-1-13(2-4-14)10-26-30(27)28/h1-6,9,11-12,24,26H,7-8,10H2,(H2,23,25)(H,27,28).
What are the key properties of 4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine?
4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine has a molecular weight of 436.56 g/mol, XLogP of 4.41, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,3-dihydro-1H-indol-5-yl)-7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-c]pyridine is sourced from PubChem (CID 174693975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).