5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one

C28H33N7O4 — CID 138715258

IUPAC5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one
SMILESCCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc3c(c2)CNC3=O)CC1
InChIInChI=1S/C28H33N7O4/c1-2-29-26-10-25-24(13-30-26)27(18-12-32-34(14-18)15-20(37)16-36)33-35(25)19-3-5-21(6-4-19)39-22-7-8-23-17(9-22)11-31-28(23)38/h7-10,12-14,19-21,36-37H,2-6,11,15-16H2,1H3,(H,29,30)(H,31,38)/t19?,20-,21?/m1/s1
InChIKeyQAUJTZIDVIKSMI-NYLDSWQDSA-N
MW531.62 g/mol
LogP2.89
Rot. Bonds9

About 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one

5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one (PubChem CID 138715258) has the molecular formula C28H33N7O4 and a molecular weight of 531.62 g/mol. Its IUPAC name is 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one
PubChem CID138715258
Molecular FormulaC28H33N7O4
Molecular Weight531.62 g/mol
Exact Mass531.26
IUPAC Name5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one
SMILESCCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc3c(c2)CNC3=O)CC1
InChIInChI=1S/C28H33N7O4/c1-2-29-26-10-25-24(13-30-26)27(18-12-32-34(14-18)15-20(37)16-36)33-35(25)19-3-5-21(6-4-19)39-22-7-8-23-17(9-22)11-31-28(23)38/h7-10,12-14,19-21,36-37H,2-6,11,15-16H2,1H3,(H,29,30)(H,31,38)/t19?,20-,21?/m1/s1
InChIKeyQAUJTZIDVIKSMI-NYLDSWQDSA-N
XLogP2.89
TPSA139.35 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one (CID 138715258) is 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one is CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc3c(c2)CNC3=O)CC1.
What is the InChIKey of 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one?
The InChIKey is QAUJTZIDVIKSMI-NYLDSWQDSA-N. The full InChI is InChI=1S/C28H33N7O4/c1-2-29-26-10-25-24(13-30-26)27(18-12-32-34(14-18)15-20(37)16-36)33-35(25)19-3-5-21(6-4-19)39-22-7-8-23-17(9-22)11-31-28(23)38/h7-10,12-14,19-21,36-37H,2-6,11,15-16H2,1H3,(H,29,30)(H,31,38)/t19?,20-,21?/m1/s1.
What are the key properties of 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one?
5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one has a molecular weight of 531.62 g/mol, XLogP of 2.89, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 138715258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).