3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol

C17H22N6O2 — CID 118288879

IUPAC3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol
SMILESCCOc1nc(Nc2cnn(C3(C)CC(O)C3)c2C)nc2[nH]ccc12
InChIInChI=1S/C17H22N6O2/c1-4-25-15-12-5-6-18-14(12)21-16(22-15)20-13-9-19-23(10(13)2)17(3)7-11(24)8-17/h5-6,9,11,24H,4,7-8H2,1-3H3,(H2,18,20,21,22)
InChIKeyNDDMOVZSZNNEEX-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.48
Rot. Bonds5

About 3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol

3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol (PubChem CID 118288879) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol
PubChem CID118288879
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol
SMILESCCOc1nc(Nc2cnn(C3(C)CC(O)C3)c2C)nc2[nH]ccc12
InChIInChI=1S/C17H22N6O2/c1-4-25-15-12-5-6-18-14(12)21-16(22-15)20-13-9-19-23(10(13)2)17(3)7-11(24)8-17/h5-6,9,11,24H,4,7-8H2,1-3H3,(H2,18,20,21,22)
InChIKeyNDDMOVZSZNNEEX-UHFFFAOYSA-N
XLogP2.48
TPSA100.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118289024
N-[1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-5-methylpyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118288926
3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-2,2-dimethylpropanenitrile
CID 118289017
4-ethoxy-N-[1-(3-fluoro-1-methylpiperidin-4-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 161100873
N-[5-chloro-1-(oxetan-3-yl)pyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118289013
4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118288952
N-(5-chloro-1-morpholin-2-ylpyrazol-4-yl)-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118288992
N-[5-chloro-1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118288717
N-[5-chloro-1-[(4S)-3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118288824
[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-[5-(hydroxymethyl)-3-azabicyclo[3.1.0]hex-1(6)-en-3-yl]methanone
CID 137418213
4-ethoxy-N-[5-ethyl-1-[(3R,4R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140765968
4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175430226

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol?
The IUPAC name of 3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol (CID 118288879) is 3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol?
The canonical SMILES for 3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol is CCOc1nc(Nc2cnn(C3(C)CC(O)C3)c2C)nc2[nH]ccc12.
What is the InChIKey of 3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol?
The InChIKey is NDDMOVZSZNNEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-4-25-15-12-5-6-18-14(12)21-16(22-15)20-13-9-19-23(10(13)2)17(3)7-11(24)8-17/h5-6,9,11,24H,4,7-8H2,1-3H3,(H2,18,20,21,22).
What are the key properties of 3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol?
3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol has a molecular weight of 342.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]-3-methylcyclobutan-1-ol is sourced from PubChem (CID 118288879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).