2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile

C20H15FN4OS — CID 171341553

IUPAC2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1C2Sc1ccc(F)cc1
InChIInChI=1S/C20H15FN4OS/c1-10-2-7-13-15(8-10)26-20-16(17(23)14(9-22)19(24)25-20)18(13)27-12-5-3-11(21)4-6-12/h2-8,18H,1H3,(H4,23,24,25)
InChIKeyICDYULGINXJQSE-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.55
Rot. Bonds2

About 2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile

2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 171341553) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID171341553
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1C2Sc1ccc(F)cc1
InChIInChI=1S/C20H15FN4OS/c1-10-2-7-13-15(8-10)26-20-16(17(23)14(9-22)19(24)25-20)18(13)27-12-5-3-11(21)4-6-12/h2-8,18H,1H3,(H4,23,24,25)
InChIKeyICDYULGINXJQSE-UHFFFAOYSA-N
XLogP4.55
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 171341553) is 2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile is Cc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1C2Sc1ccc(F)cc1.
What is the InChIKey of 2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is ICDYULGINXJQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-10-2-7-13-15(8-10)26-20-16(17(23)14(9-22)19(24)25-20)18(13)27-12-5-3-11(21)4-6-12/h2-8,18H,1H3,(H4,23,24,25).
What are the key properties of 2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 378.43 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(4-fluorophenyl)sulfanyl-8-methyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 171341553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).