3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide

C23H23N7O3 — CID 66813245

IUPAC3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide
SMILESCc1cnc(NC(=O)C(COC2CCC2)Oc2ncnc3c2cnn3-c2ccccc2)cn1
InChIInChI=1S/C23H23N7O3/c1-15-10-25-20(12-24-15)29-22(31)19(13-32-17-8-5-9-17)33-23-18-11-28-30(21(18)26-14-27-23)16-6-3-2-4-7-16/h2-4,6-7,10-12,14,17,19H,5,8-9,13H2,1H3,(H,25,29,31)
InChIKeyDSBNDJSOEXTLAL-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.87
Rot. Bonds8

About 3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide

3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide (PubChem CID 66813245) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide.

Molecular Properties

Compound Name3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide
PubChem CID66813245
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide
SMILESCc1cnc(NC(=O)C(COC2CCC2)Oc2ncnc3c2cnn3-c2ccccc2)cn1
InChIInChI=1S/C23H23N7O3/c1-15-10-25-20(12-24-15)29-22(31)19(13-32-17-8-5-9-17)33-23-18-11-28-30(21(18)26-14-27-23)16-6-3-2-4-7-16/h2-4,6-7,10-12,14,17,19H,5,8-9,13H2,1H3,(H,25,29,31)
InChIKeyDSBNDJSOEXTLAL-UHFFFAOYSA-N
XLogP2.87
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2-[1-(2,6-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methylpyrazin-2-yl)propanamide;methanesulfonic acid
CID 87530423
3-methoxy-2-(1-methoxypyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-(5-methyl-2-pyridinyl)propanamide
CID 142707665
(2S)-3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[[6-(3-methyl-4-pyridinyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]propanamide
CID 67185002
N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133399449
(2R)-2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide
CID 57438605
2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide
CID 59279543
N-(5-cyano-2-pyridinyl)-2-[1-(2,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanamide
CID 76550410
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanone
CID 8893922
N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2470090
(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide
CID 41165397
2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 76550400
N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide
CID 59279457

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide?
The IUPAC name of 3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide (CID 66813245) is 3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide.
What is the SMILES notation for 3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide?
The canonical SMILES for 3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide is Cc1cnc(NC(=O)C(COC2CCC2)Oc2ncnc3c2cnn3-c2ccccc2)cn1.
What is the InChIKey of 3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide?
The InChIKey is DSBNDJSOEXTLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-15-10-25-20(12-24-15)29-22(31)19(13-32-17-8-5-9-17)33-23-18-11-28-30(21(18)26-14-27-23)16-6-3-2-4-7-16/h2-4,6-7,10-12,14,17,19H,5,8-9,13H2,1H3,(H,25,29,31).
What are the key properties of 3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide?
3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide has a molecular weight of 445.48 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropanamide is sourced from PubChem (CID 66813245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).