2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile

C17H12N4O — CID 177315480

IUPAC2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccc[nH]1)Cc1cc(O)ccc1-2
InChIInChI=1S/C17H12N4O/c18-8-13-15(14-2-1-5-20-14)12-7-9-6-10(22)3-4-11(9)16(12)21-17(13)19/h1-6,20,22H,7H2,(H2,19,21)
InChIKeyOFADYTWKUFRDNB-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.81
Rot. Bonds1

About 2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile

2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 177315480) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
PubChem CID177315480
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccc[nH]1)Cc1cc(O)ccc1-2
InChIInChI=1S/C17H12N4O/c18-8-13-15(14-2-1-5-20-14)12-7-9-6-10(22)3-4-11(9)16(12)21-17(13)19/h1-6,20,22H,7H2,(H2,19,21)
InChIKeyOFADYTWKUFRDNB-UHFFFAOYSA-N
XLogP2.81
TPSA98.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile (CID 177315480) is 2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccc[nH]1)Cc1cc(O)ccc1-2.
What is the InChIKey of 2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is OFADYTWKUFRDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c18-8-13-15(14-2-1-5-20-14)12-7-9-6-10(22)3-4-11(9)16(12)21-17(13)19/h1-6,20,22H,7H2,(H2,19,21).
What are the key properties of 2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 288.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-hydroxy-4-(1H-pyrrol-2-yl)-5H-indeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 177315480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).