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

C25H32N8O4 — CID 162773650

IUPAC6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
SMILESCCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C25H32N8O4/c1-3-26-22-10-21-20(12-27-22)25(16-11-28-32(13-16)14-18(35)15-34)30-33(21)17-4-6-19(7-5-17)37-23-8-9-24(36)31(2)29-23/h8-13,17-19,34-35H,3-7,14-15H2,1-2H3,(H,26,27)/t17?,18-,19?/m1/s1
InChIKeyRSPAFCYZCBCSLK-JLAWEPINSA-N
MW508.58 g/mol
LogP1.74
Rot. Bonds9

About 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-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-methylpyridazin-3-one (PubChem CID 162773650) has the molecular formula C25H32N8O4 and a molecular weight of 508.58 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-methylpyridazin-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-methylpyridazin-3-one
PubChem CID162773650
Molecular FormulaC25H32N8O4
Molecular Weight508.58 g/mol
Exact Mass508.25
IUPAC Name6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
SMILESCCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C25H32N8O4/c1-3-26-22-10-21-20(12-27-22)25(16-11-28-32(13-16)14-18(35)15-34)30-33(21)17-4-6-19(7-5-17)37-23-8-9-24(36)31(2)29-23/h8-13,17-19,34-35H,3-7,14-15H2,1-2H3,(H,26,27)/t17?,18-,19?/m1/s1
InChIKeyRSPAFCYZCBCSLK-JLAWEPINSA-N
XLogP1.74
TPSA145.14 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 51.74
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-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methylpyridazin-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-methylpyridazin-3-one (CID 162773650) is 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-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-methylpyridazin-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-methylpyridazin-3-one is CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc(=O)n(C)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-methylpyridazin-3-one?
The InChIKey is RSPAFCYZCBCSLK-JLAWEPINSA-N. The full InChI is InChI=1S/C25H32N8O4/c1-3-26-22-10-21-20(12-27-22)25(16-11-28-32(13-16)14-18(35)15-34)30-33(21)17-4-6-19(7-5-17)37-23-8-9-24(36)31(2)29-23/h8-13,17-19,34-35H,3-7,14-15H2,1-2H3,(H,26,27)/t17?,18-,19?/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-methylpyridazin-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-methylpyridazin-3-one has a molecular weight of 508.58 g/mol, XLogP of 1.74, 9 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-methylpyridazin-3-one is sourced from PubChem (CID 162773650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).