(3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol

C19H23N5O2 — CID 56673310

IUPAC(3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol
SMILESCCOc1ccc(-n2nc3c(N4CC[C@@H](O)C4)nnc(C)c3c2C)cc1
InChIInChI=1S/C19H23N5O2/c1-4-26-16-7-5-14(6-8-16)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-9-15(25)11-23/h5-8,15,25H,4,9-11H2,1-3H3/t15-/m1/s1
InChIKeySHGJYZSMCVDVNW-OAHLLOKOSA-N
MW353.43 g/mol
LogP2.40
Rot. Bonds4

About (3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol

(3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol (PubChem CID 56673310) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol
PubChem CID56673310
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol
SMILESCCOc1ccc(-n2nc3c(N4CC[C@@H](O)C4)nnc(C)c3c2C)cc1
InChIInChI=1S/C19H23N5O2/c1-4-26-16-7-5-14(6-8-16)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-9-15(25)11-23/h5-8,15,25H,4,9-11H2,1-3H3/t15-/m1/s1
InChIKeySHGJYZSMCVDVNW-OAHLLOKOSA-N
XLogP2.40
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol (CID 56673310) is (3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol is CCOc1ccc(-n2nc3c(N4CC[C@@H](O)C4)nnc(C)c3c2C)cc1.
What is the InChIKey of (3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol?
The InChIKey is SHGJYZSMCVDVNW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-26-16-7-5-14(6-8-16)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-9-15(25)11-23/h5-8,15,25H,4,9-11H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol?
(3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol has a molecular weight of 353.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]pyrrolidin-3-ol is sourced from PubChem (CID 56673310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).