3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C18H17FN4O — CID 155591388

IUPAC3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOc1ccc(Cn2nc3c(c2-c2ccccc2F)CNC3)cn1
InChIInChI=1S/C18H17FN4O/c1-24-17-7-6-12(8-21-17)11-23-18(13-4-2-3-5-15(13)19)14-9-20-10-16(14)22-23/h2-8,20H,9-11H2,1H3
InChIKeyCWOUNUGLVFUANI-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.74
Rot. Bonds4

About 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 155591388) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID155591388
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOc1ccc(Cn2nc3c(c2-c2ccccc2F)CNC3)cn1
InChIInChI=1S/C18H17FN4O/c1-24-17-7-6-12(8-21-17)11-23-18(13-4-2-3-5-15(13)19)14-9-20-10-16(14)22-23/h2-8,20H,9-11H2,1H3
InChIKeyCWOUNUGLVFUANI-UHFFFAOYSA-N
XLogP2.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole with MolForge

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Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
3-(4-Methoxy-phenyl)-2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992584
3-(4-methoxyphenyl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992651
US10034861, Example 199
CID 132273487
Dihydropyrrolopyrazole, 10
CID 9924137
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methylpiperidin-4-amine
CID 16187227
1-[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 16187264
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-{[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 16189988
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[1-(2-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16192336
2-[4-(4-Methoxy-phenyl)-1-methyl-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 44351275

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 155591388) is 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is COc1ccc(Cn2nc3c(c2-c2ccccc2F)CNC3)cn1.
What is the InChIKey of 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is CWOUNUGLVFUANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-24-17-7-6-12(8-21-17)11-23-18(13-4-2-3-5-15(13)19)14-9-20-10-16(14)22-23/h2-8,20H,9-11H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 324.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 155591388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).