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

C26H34N8O4 — CID 138715030

IUPAC6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one
SMILESCCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc(=O)n(CC)n2)CC1
InChIInChI=1S/C26H34N8O4/c1-3-27-23-11-22-21(13-28-23)26(17-12-29-32(14-17)15-19(36)16-35)31-34(22)18-5-7-20(8-6-18)38-24-9-10-25(37)33(4-2)30-24/h9-14,18-20,35-36H,3-8,15-16H2,1-2H3,(H,27,28)/t18?,19-,20?/m1/s1
InChIKeyCRCJXGPYZWLPSL-IOJLRTSASA-N
MW522.61 g/mol
LogP2.22
Rot. Bonds10

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

6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one (PubChem CID 138715030) has the molecular formula C26H34N8O4 and a molecular weight of 522.61 g/mol. Its IUPAC name is 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one
PubChem CID138715030
Molecular FormulaC26H34N8O4
Molecular Weight522.61 g/mol
Exact Mass522.27
IUPAC Name6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one
SMILESCCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc(=O)n(CC)n2)CC1
InChIInChI=1S/C26H34N8O4/c1-3-27-23-11-22-21(13-28-23)26(17-12-29-32(14-17)15-19(36)16-35)31-34(22)18-5-7-20(8-6-18)38-24-9-10-25(37)33(4-2)30-24/h9-14,18-20,35-36H,3-8,15-16H2,1-2H3,(H,27,28)/t18?,19-,20?/m1/s1
InChIKeyCRCJXGPYZWLPSL-IOJLRTSASA-N
XLogP2.22
TPSA145.14 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one?
The IUPAC name of 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one (CID 138715030) is 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one?
The canonical SMILES for 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one is CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc(=O)n(CC)n2)CC1.
What is the InChIKey of 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one?
The InChIKey is CRCJXGPYZWLPSL-IOJLRTSASA-N. The full InChI is InChI=1S/C26H34N8O4/c1-3-27-23-11-22-21(13-28-23)26(17-12-29-32(14-17)15-19(36)16-35)31-34(22)18-5-7-20(8-6-18)38-24-9-10-25(37)33(4-2)30-24/h9-14,18-20,35-36H,3-8,15-16H2,1-2H3,(H,27,28)/t18?,19-,20?/m1/s1.
What are the key properties of 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one?
6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one has a molecular weight of 522.61 g/mol, XLogP of 2.22, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one is sourced from PubChem (CID 138715030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).