6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol

C26H32N6O3 — CID 138715518

IUPAC6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol
SMILESCCNc1cc2c(cn1)c(-c1ccc(CO)cc1)nn2C1CCC(OC2=NN(C)C(O)C=C2)CC1
InChIInChI=1S/C26H32N6O3/c1-3-27-23-14-22-21(15-28-23)26(18-6-4-17(16-33)5-7-18)30-32(22)19-8-10-20(11-9-19)35-24-12-13-25(34)31(2)29-24/h4-7,12-15,19-20,25,33-34H,3,8-11,16H2,1-2H3,(H,27,28)
InChIKeyQMELHGJWQFBQLB-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.66
Rot. Bonds6

About 6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol

6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol (PubChem CID 138715518) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol.

Molecular Properties

Compound Name6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol
PubChem CID138715518
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol
SMILESCCNc1cc2c(cn1)c(-c1ccc(CO)cc1)nn2C1CCC(OC2=NN(C)C(O)C=C2)CC1
InChIInChI=1S/C26H32N6O3/c1-3-27-23-14-22-21(15-28-23)26(18-6-4-17(16-33)5-7-18)30-32(22)19-8-10-20(11-9-19)35-24-12-13-25(34)31(2)29-24/h4-7,12-15,19-20,25,33-34H,3,8-11,16H2,1-2H3,(H,27,28)
InChIKeyQMELHGJWQFBQLB-UHFFFAOYSA-N
XLogP3.66
TPSA108.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol 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-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol?
The IUPAC name of 6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol (CID 138715518) is 6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol.
What is the SMILES notation for 6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol?
The canonical SMILES for 6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol is CCNc1cc2c(cn1)c(-c1ccc(CO)cc1)nn2C1CCC(OC2=NN(C)C(O)C=C2)CC1.
What is the InChIKey of 6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol?
The InChIKey is QMELHGJWQFBQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-3-27-23-14-22-21(15-28-23)26(18-6-4-17(16-33)5-7-18)30-32(22)19-8-10-20(11-9-19)35-24-12-13-25(34)31(2)29-24/h4-7,12-15,19-20,25,33-34H,3,8-11,16H2,1-2H3,(H,27,28).
What are the key properties of 6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol?
6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol has a molecular weight of 476.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(ethylamino)-3-[4-(hydroxymethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methyl-3H-pyridazin-3-ol is sourced from PubChem (CID 138715518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).