2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile

C17H13N5O — CID 56758409

IUPAC2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile
SMILESCn1cc(-c2c(C#N)c(N)nc3c2COc2ccccc2-3)cn1
InChIInChI=1S/C17H13N5O/c1-22-8-10(7-20-22)15-12(6-18)17(19)21-16-11-4-2-3-5-14(11)23-9-13(15)16/h2-5,7-8H,9H2,1H3,(H2,19,21)
InChIKeyWPHUSIQPKHRLJK-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.50
Rot. Bonds1

About 2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile

2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile (PubChem CID 56758409) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile
PubChem CID56758409
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile
SMILESCn1cc(-c2c(C#N)c(N)nc3c2COc2ccccc2-3)cn1
InChIInChI=1S/C17H13N5O/c1-22-8-10(7-20-22)15-12(6-18)17(19)21-16-11-4-2-3-5-14(11)23-9-13(15)16/h2-5,7-8H,9H2,1H3,(H2,19,21)
InChIKeyWPHUSIQPKHRLJK-UHFFFAOYSA-N
XLogP2.50
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile (CID 56758409) is 2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile is Cn1cc(-c2c(C#N)c(N)nc3c2COc2ccccc2-3)cn1.
What is the InChIKey of 2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile?
The InChIKey is WPHUSIQPKHRLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-22-8-10(7-20-22)15-12(6-18)17(19)21-16-11-4-2-3-5-14(11)23-9-13(15)16/h2-5,7-8H,9H2,1H3,(H2,19,21).
What are the key properties of 2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile?
2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile has a molecular weight of 303.33 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 56758409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).