2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile

C17H22N6O — CID 166928099

IUPAC2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile
SMILESC[C@@H]1COCCN1c1cc(C(C)(C)C#N)cc(Nc2ccn[nH]2)n1
InChIInChI=1S/C17H22N6O/c1-12-10-24-7-6-23(12)16-9-13(17(2,3)11-18)8-15(21-16)20-14-4-5-19-22-14/h4-5,8-9,12H,6-7,10H2,1-3H3,(H2,19,20,21,22)/t12-/m1/s1
InChIKeyIJYDUAGXYCQDGX-GFCCVEGCSA-N
MW326.40 g/mol
LogP2.57
Rot. Bonds4

About 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile

2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile (PubChem CID 166928099) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile
PubChem CID166928099
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile
SMILESC[C@@H]1COCCN1c1cc(C(C)(C)C#N)cc(Nc2ccn[nH]2)n1
InChIInChI=1S/C17H22N6O/c1-12-10-24-7-6-23(12)16-9-13(17(2,3)11-18)8-15(21-16)20-14-4-5-19-22-14/h4-5,8-9,12H,6-7,10H2,1-3H3,(H2,19,20,21,22)/t12-/m1/s1
InChIKeyIJYDUAGXYCQDGX-GFCCVEGCSA-N
XLogP2.57
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile with MolForge

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Related Compounds

1-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclopentane-1-carbonitrile
CID 166927935
2-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]-2-methylpropanenitrile
CID 155585674
4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928001
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928055
methanethiol;2-[3-methanimidoyl-6-(3-methylmorpholin-4-yl)-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile
CID 165400505
4-(3,5-dimethyltriazol-4-yl)-3-methyl-6-(3-methylmorpholin-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 170305522
3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
CID 67535361
3-(iodomethyl)-6-[(3R)-3-methylmorpholin-4-yl]-4-(1-methylsulfonylcyclopropyl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 170361452
1,1-difluoropropane;4-[3-methanimidoyl-6-(3-methylmorpholin-4-yl)-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]heptan-4-ol
CID 166527556
4-[3-(dimethylamino)prop-1-ynyl]-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 176647369
1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]phenyl]-3-(1H-pyrazol-5-yl)urea
CID 57427693
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine
CID 142845392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile?
The IUPAC name of 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile (CID 166928099) is 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile is C[C@@H]1COCCN1c1cc(C(C)(C)C#N)cc(Nc2ccn[nH]2)n1.
What is the InChIKey of 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile?
The InChIKey is IJYDUAGXYCQDGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-10-24-7-6-23(12)16-9-13(17(2,3)11-18)8-15(21-16)20-14-4-5-19-22-14/h4-5,8-9,12H,6-7,10H2,1-3H3,(H2,19,20,21,22)/t12-/m1/s1.
What are the key properties of 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile?
2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile has a molecular weight of 326.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile is sourced from PubChem (CID 166928099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).