4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile

C21H24N6O2 — CID 70925025

IUPAC4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile
SMILESCOCCn1cc(-c2ccc(Nc3cc(N)c(C#N)c(OC(C)C)n3)cc2)cn1
InChIInChI=1S/C21H24N6O2/c1-14(2)29-21-18(11-22)19(23)10-20(26-21)25-17-6-4-15(5-7-17)16-12-24-27(13-16)8-9-28-3/h4-7,10,12-14H,8-9H2,1-3H3,(H3,23,25,26)
InChIKeyIDEOWKFKGOPYDI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.58
Rot. Bonds8

About 4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile

4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile (PubChem CID 70925025) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile
PubChem CID70925025
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile
SMILESCOCCn1cc(-c2ccc(Nc3cc(N)c(C#N)c(OC(C)C)n3)cc2)cn1
InChIInChI=1S/C21H24N6O2/c1-14(2)29-21-18(11-22)19(23)10-20(26-21)25-17-6-4-15(5-7-17)16-12-24-27(13-16)8-9-28-3/h4-7,10,12-14H,8-9H2,1-3H3,(H3,23,25,26)
InChIKeyIDEOWKFKGOPYDI-UHFFFAOYSA-N
XLogP3.58
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile (CID 70925025) is 4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile is COCCn1cc(-c2ccc(Nc3cc(N)c(C#N)c(OC(C)C)n3)cc2)cn1.
What is the InChIKey of 4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile?
The InChIKey is IDEOWKFKGOPYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14(2)29-21-18(11-22)19(23)10-20(26-21)25-17-6-4-15(5-7-17)16-12-24-27(13-16)8-9-28-3/h4-7,10,12-14H,8-9H2,1-3H3,(H3,23,25,26).
What are the key properties of 4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile?
4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 70925025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).