2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile

C19H16N4O2 — CID 10246172

IUPAC2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile
SMILESCOc1cncc(C2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1
InChIInChI=1S/C19H16N4O2/c1-23-6-5-13-16(23)4-3-14-17(11-7-12(24-2)10-22-9-11)15(8-20)19(21)25-18(13)14/h3-7,9-10,17H,21H2,1-2H3
InChIKeyISCULTSSKZPFLB-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.80
Rot. Bonds2

About 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile

2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile (PubChem CID 10246172) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile
PubChem CID10246172
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile
SMILESCOc1cncc(C2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1
InChIInChI=1S/C19H16N4O2/c1-23-6-5-13-16(23)4-3-14-17(11-7-12(24-2)10-22-9-11)15(8-20)19(21)25-18(13)14/h3-7,9-10,17H,21H2,1-2H3
InChIKeyISCULTSSKZPFLB-UHFFFAOYSA-N
XLogP2.80
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile (CID 10246172) is 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile is COc1cncc(C2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1.
What is the InChIKey of 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile?
The InChIKey is ISCULTSSKZPFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-6-5-13-16(23)4-3-14-17(11-7-12(24-2)10-22-9-11)15(8-20)19(21)25-18(13)14/h3-7,9-10,17H,21H2,1-2H3.
What are the key properties of 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile?
2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile has a molecular weight of 332.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methoxy-3-pyridinyl)-7-methyl-4H-pyrano[2,3-e]indole-3-carbonitrile is sourced from PubChem (CID 10246172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).