4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile

C23H16N4S — CID 69473608

IUPAC4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2sc(-c3ccccc3)cc2c1NCc1cccc2[nH]ccc12
InChIInChI=1S/C23H16N4S/c24-12-17-14-27-23-19(11-21(28-23)15-5-2-1-3-6-15)22(17)26-13-16-7-4-8-20-18(16)9-10-25-20/h1-11,14,25H,13H2,(H,26,27)
InChIKeyKMVJSIPXIKRVBQ-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.93
Rot. Bonds4

About 4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile

4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 69473608) has the molecular formula C23H16N4S and a molecular weight of 380.48 g/mol. Its IUPAC name is 4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
PubChem CID69473608
Molecular FormulaC23H16N4S
Molecular Weight380.48 g/mol
Exact Mass380.11
IUPAC Name4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2sc(-c3ccccc3)cc2c1NCc1cccc2[nH]ccc12
InChIInChI=1S/C23H16N4S/c24-12-17-14-27-23-19(11-21(28-23)15-5-2-1-3-6-15)22(17)26-13-16-7-4-8-20-18(16)9-10-25-20/h1-11,14,25H,13H2,(H,26,27)
InChIKeyKMVJSIPXIKRVBQ-UHFFFAOYSA-N
XLogP5.93
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile (CID 69473608) is 4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2sc(-c3ccccc3)cc2c1NCc1cccc2[nH]ccc12.
What is the InChIKey of 4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is KMVJSIPXIKRVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4S/c24-12-17-14-27-23-19(11-21(28-23)15-5-2-1-3-6-15)22(17)26-13-16-7-4-8-20-18(16)9-10-25-20/h1-11,14,25H,13H2,(H,26,27).
What are the key properties of 4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile?
4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 380.48 g/mol, XLogP of 5.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 69473608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).