4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile

C27H18N4S — CID 69474182

IUPAC4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile
SMILESCc1c(Nc2c(C#N)cnc3sc(-c4cccc5ccccc45)cc23)ccc2[nH]ccc12
InChIInChI=1S/C27H18N4S/c1-16-19-11-12-29-24(19)10-9-23(16)31-26-18(14-28)15-30-27-22(26)13-25(32-27)21-8-4-6-17-5-2-3-7-20(17)21/h2-13,15,29H,1H3,(H,30,31)
InChIKeyIOOVFIDSPAQDBM-UHFFFAOYSA-N
MW430.54 g/mol
LogP7.52
Rot. Bonds3

About 4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile

4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 69474182) has the molecular formula C27H18N4S and a molecular weight of 430.54 g/mol. Its IUPAC name is 4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile
PubChem CID69474182
Molecular FormulaC27H18N4S
Molecular Weight430.54 g/mol
Exact Mass430.13
IUPAC Name4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile
SMILESCc1c(Nc2c(C#N)cnc3sc(-c4cccc5ccccc45)cc23)ccc2[nH]ccc12
InChIInChI=1S/C27H18N4S/c1-16-19-11-12-29-24(19)10-9-23(16)31-26-18(14-28)15-30-27-22(26)13-25(32-27)21-8-4-6-17-5-2-3-7-20(17)21/h2-13,15,29H,1H3,(H,30,31)
InChIKeyIOOVFIDSPAQDBM-UHFFFAOYSA-N
XLogP7.52
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile (CID 69474182) is 4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile is Cc1c(Nc2c(C#N)cnc3sc(-c4cccc5ccccc45)cc23)ccc2[nH]ccc12.
What is the InChIKey of 4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is IOOVFIDSPAQDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4S/c1-16-19-11-12-29-24(19)10-9-23(16)31-26-18(14-28)15-30-27-22(26)13-25(32-27)21-8-4-6-17-5-2-3-7-20(17)21/h2-13,15,29H,1H3,(H,30,31).
What are the key properties of 4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile?
4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 430.54 g/mol, XLogP of 7.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 69474182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).