3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile

C23H14N4O2S — CID 23887456

IUPAC3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2sc(C(=O)c3ccc4ccccc4c3)c(N)c2c1-c1ccco1
InChIInChI=1S/C23H14N4O2S/c24-11-15-17(16-6-3-9-29-16)18-19(25)21(30-23(18)27-22(15)26)20(28)14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,25H2,(H2,26,27)
InChIKeyHJFAHNMQCVPGSZ-UHFFFAOYSA-N
MW410.46 g/mol
LogP4.98
Rot. Bonds3

About 3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile

3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 23887456) has the molecular formula C23H14N4O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is 3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID23887456
Molecular FormulaC23H14N4O2S
Molecular Weight410.46 g/mol
Exact Mass410.08
IUPAC Name3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2sc(C(=O)c3ccc4ccccc4c3)c(N)c2c1-c1ccco1
InChIInChI=1S/C23H14N4O2S/c24-11-15-17(16-6-3-9-29-16)18-19(25)21(30-23(18)27-22(15)26)20(28)14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,25H2,(H2,26,27)
InChIKeyHJFAHNMQCVPGSZ-UHFFFAOYSA-N
XLogP4.98
TPSA118.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile (CID 23887456) is 3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile is N#Cc1c(N)nc2sc(C(=O)c3ccc4ccccc4c3)c(N)c2c1-c1ccco1.
What is the InChIKey of 3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is HJFAHNMQCVPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O2S/c24-11-15-17(16-6-3-9-29-16)18-19(25)21(30-23(18)27-22(15)26)20(28)14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,25H2,(H2,26,27).
What are the key properties of 3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 410.46 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 23887456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).