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

C20H16N4O3S — CID 155807902

IUPAC2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1C2Sc1ccc(O)cc1
InChIInChI=1S/C20H16N4O3S/c1-26-11-4-7-13-15(8-11)27-20-16(17(22)14(9-21)19(23)24-20)18(13)28-12-5-2-10(25)3-6-12/h2-8,18,25H,1H3,(H4,22,23,24)
InChIKeyUOVPRWALRYUGDM-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.82
Rot. Bonds3

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

2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 155807902) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID155807902
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1C2Sc1ccc(O)cc1
InChIInChI=1S/C20H16N4O3S/c1-26-11-4-7-13-15(8-11)27-20-16(17(22)14(9-21)19(23)24-20)18(13)28-12-5-2-10(25)3-6-12/h2-8,18,25H,1H3,(H4,22,23,24)
InChIKeyUOVPRWALRYUGDM-UHFFFAOYSA-N
XLogP3.82
TPSA127.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 155807902) is 2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile is COc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1C2Sc1ccc(O)cc1.
What is the InChIKey of 2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is UOVPRWALRYUGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-26-11-4-7-13-15(8-11)27-20-16(17(22)14(9-21)19(23)24-20)18(13)28-12-5-2-10(25)3-6-12/h2-8,18,25H,1H3,(H4,22,23,24).
What are the key properties of 2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 392.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(4-hydroxyphenyl)sulfanyl-8-methoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 155807902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).