4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine

C23H21ClFN5 — CID 90108255

IUPAC4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
SMILESF[C@@H]1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1
InChIInChI=1S/C23H21ClFN5/c24-20-19-21(16-7-3-1-4-8-16)28-30(14-13-29-12-11-18(25)15-29)23(19)27-26-22(20)17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyMVBFYMIXIJUCGO-GOSISDBHSA-N
MW421.91 g/mol
LogP4.86
Rot. Bonds5

About 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine

4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine (PubChem CID 90108255) has the molecular formula C23H21ClFN5 and a molecular weight of 421.91 g/mol. Its IUPAC name is 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
PubChem CID90108255
Molecular FormulaC23H21ClFN5
Molecular Weight421.91 g/mol
Exact Mass421.15
IUPAC Name4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
SMILESF[C@@H]1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1
InChIInChI=1S/C23H21ClFN5/c24-20-19-21(16-7-3-1-4-8-16)28-30(14-13-29-12-11-18(25)15-29)23(19)27-26-22(20)17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyMVBFYMIXIJUCGO-GOSISDBHSA-N
XLogP4.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-Chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10177031
4-(4-Chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767208
4-(2-Chlorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767363
4-(4-Chloro-2-fluorophenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 90146004
4-(4-Chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668108
5-(3-Chlorophenyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103082
1-(2-Chlorophenyl)-6,8-difluoro-3-methylpyrazolo[3,4-c]cinnoline
CID 73387739
BF-844
CID 66576257
1-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538891
11-(4-Chlorophenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 49844418
3-(4-Chlorophenyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633676
7-[(3-chlorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine (CID 90108255) is 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine is F[C@@H]1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.
What is the InChIKey of 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?
The InChIKey is MVBFYMIXIJUCGO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21ClFN5/c24-20-19-21(16-7-3-1-4-8-16)28-30(14-13-29-12-11-18(25)15-29)23(19)27-26-22(20)17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-/m1/s1.
What are the key properties of 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?
4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine has a molecular weight of 421.91 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 90108255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).