4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride

C16H10ClIN4S — CID 69251164

IUPAC4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1cnc2sc(I)cc2c1Nc1cccc2[nH]ccc12
InChIInChI=1S/C16H9IN4S.ClH/c17-14-6-11-15(9(7-18)8-20-16(11)22-14)21-13-3-1-2-12-10(13)4-5-19-12;/h1-6,8,19H,(H,20,21);1H
InChIKeyVDPZVRWYRJCVFZ-UHFFFAOYSA-N
MW452.71 g/mol
LogP5.42
Rot. Bonds2

About 4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride

4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride (PubChem CID 69251164) has the molecular formula C16H10ClIN4S and a molecular weight of 452.71 g/mol. Its IUPAC name is 4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride
PubChem CID69251164
Molecular FormulaC16H10ClIN4S
Molecular Weight452.71 g/mol
Exact Mass451.94
IUPAC Name4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1cnc2sc(I)cc2c1Nc1cccc2[nH]ccc12
InChIInChI=1S/C16H9IN4S.ClH/c17-14-6-11-15(9(7-18)8-20-16(11)22-14)21-13-3-1-2-12-10(13)4-5-19-12;/h1-6,8,19H,(H,20,21);1H
InChIKeyVDPZVRWYRJCVFZ-UHFFFAOYSA-N
XLogP5.42
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.71
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride?
The IUPAC name of 4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride (CID 69251164) is 4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride?
The canonical SMILES for 4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride is Cl.N#Cc1cnc2sc(I)cc2c1Nc1cccc2[nH]ccc12.
What is the InChIKey of 4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride?
The InChIKey is VDPZVRWYRJCVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9IN4S.ClH/c17-14-6-11-15(9(7-18)8-20-16(11)22-14)21-13-3-1-2-12-10(13)4-5-19-12;/h1-6,8,19H,(H,20,21);1H.
What are the key properties of 4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride?
4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride has a molecular weight of 452.71 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride is sourced from PubChem (CID 69251164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).