2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile

C18H21N7O — CID 135374392

IUPAC2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
SMILESCOc1nc(Nc2cn(C(C)(C)C#N)nc2C)nc2[nH]cc(C3CC3)c12
InChIInChI=1S/C18H21N7O/c1-10-13(8-25(24-10)18(2,3)9-19)21-17-22-15-14(16(23-17)26-4)12(7-20-15)11-5-6-11/h7-8,11H,5-6H2,1-4H3,(H2,20,21,22,23)
InChIKeyLTWLQLDOOGHGTP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.35
Rot. Bonds5

About 2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile

2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 135374392) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
PubChem CID135374392
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
SMILESCOc1nc(Nc2cn(C(C)(C)C#N)nc2C)nc2[nH]cc(C3CC3)c12
InChIInChI=1S/C18H21N7O/c1-10-13(8-25(24-10)18(2,3)9-19)21-17-22-15-14(16(23-17)26-4)12(7-20-15)11-5-6-11/h7-8,11H,5-6H2,1-4H3,(H2,20,21,22,23)
InChIKeyLTWLQLDOOGHGTP-UHFFFAOYSA-N
XLogP3.35
TPSA104.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(5-chloro-4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943572
5-fluoro-N-[1-(2-isocyanopropan-2-yl)-3-methylpyrazol-4-yl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140943478
2-[4-[[5-chloro-4-[(4-methoxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 165385697
2-[4-[[4-methoxy-5-(trifluoromethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943584
2-[4-[[4-cyclopropyl-5-fluoro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943263
5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140943507
2-[4-[[6-ethoxy-9-(2-trimethylsilylethoxymethyl)purin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943254
2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-ethylsulfanylpyrimidine-5-carbonitrile
CID 135374424
2-[4-[(5-chloro-4-ethylsulfanylpyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 135374636
N-[1-(2-isocyanopropan-2-yl)-3-methylpyrazol-4-yl]-5-methoxy-4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-amine
CID 165385838
2-methyl-2-[3-methyl-4-[[7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 172561229
4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 140943535

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile (CID 135374392) is 2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile is COc1nc(Nc2cn(C(C)(C)C#N)nc2C)nc2[nH]cc(C3CC3)c12.
What is the InChIKey of 2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile?
The InChIKey is LTWLQLDOOGHGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-10-13(8-25(24-10)18(2,3)9-19)21-17-22-15-14(16(23-17)26-4)12(7-20-15)11-5-6-11/h7-8,11H,5-6H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile?
2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 351.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 135374392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).