2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile

C19H23N7 — CID 56880822

IUPAC2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCCn1cc(-c2cc(-c3cnn(C(C)C)c3)c(C#N)c(N)n2)c(C)n1
InChIInChI=1S/C19H23N7/c1-5-6-25-11-17(13(4)24-25)18-7-15(16(8-20)19(21)23-18)14-9-22-26(10-14)12(2)3/h7,9-12H,5-6H2,1-4H3,(H2,21,23)
InChIKeyLYAJNGKJESNPKX-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.56
Rot. Bonds5

About 2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56880822) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56880822
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCCn1cc(-c2cc(-c3cnn(C(C)C)c3)c(C#N)c(N)n2)c(C)n1
InChIInChI=1S/C19H23N7/c1-5-6-25-11-17(13(4)24-25)18-7-15(16(8-20)19(21)23-18)14-9-22-26(10-14)12(2)3/h7,9-12H,5-6H2,1-4H3,(H2,21,23)
InChIKeyLYAJNGKJESNPKX-UHFFFAOYSA-N
XLogP3.56
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56880822) is 2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile is CCCn1cc(-c2cc(-c3cnn(C(C)C)c3)c(C#N)c(N)n2)c(C)n1.
What is the InChIKey of 2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is LYAJNGKJESNPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-5-6-25-11-17(13(4)24-25)18-7-15(16(8-20)19(21)23-18)14-9-22-26(10-14)12(2)3/h7,9-12H,5-6H2,1-4H3,(H2,21,23).
What are the key properties of 2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 349.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methyl-1-propylpyrazol-4-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56880822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).