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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Related Compounds

(16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
CID 90644196
(17R)-20-amino-14-fluoro-4,17-dimethyl-10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile
CID 90644197
5-(3-Aminopropylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
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4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile
CID 67098869
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
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4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine
CID 166631388
5-(6-Aminohexylamino)-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
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5-[2-[[1-[(2-Cyanocyclopropyl)methyl]pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
CID 71295047
5-[2-[[1-(2-Hydroxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
CID 71295101
2-(Oxan-4-yloxy)-5-[2-[[1-(oxolan-3-ylmethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile
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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).