3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine

C28H25F4N5O — CID 139354869

IUPAC3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCc1nc(N2Cc3cn[nH]c3C2)ccc1-c1cc(COc2cc3c(cn2)CC(C)C3)c(F)cc1C(F)(F)F
InChIInChI=1S/C28H25F4N5O/c1-15-5-17-8-27(33-10-18(17)6-15)38-14-19-7-22(23(9-24(19)29)28(30,31)32)21-3-4-26(35-16(21)2)37-12-20-11-34-36-25(20)13-37/h3-4,7-11,15H,5-6,12-14H2,1-2H3,(H,34,36)
InChIKeyPZMVOFGYIPDIKH-UHFFFAOYSA-N
MW523.53 g/mol
LogP6.17
Rot. Bonds5

About 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine

3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 139354869) has the molecular formula C28H25F4N5O and a molecular weight of 523.53 g/mol. Its IUPAC name is 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID139354869
Molecular FormulaC28H25F4N5O
Molecular Weight523.53 g/mol
Exact Mass523.20
IUPAC Name3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCc1nc(N2Cc3cn[nH]c3C2)ccc1-c1cc(COc2cc3c(cn2)CC(C)C3)c(F)cc1C(F)(F)F
InChIInChI=1S/C28H25F4N5O/c1-15-5-17-8-27(33-10-18(17)6-15)38-14-19-7-22(23(9-24(19)29)28(30,31)32)21-3-4-26(35-16(21)2)37-12-20-11-34-36-25(20)13-37/h3-4,7-11,15H,5-6,12-14H2,1-2H3,(H,34,36)
InChIKeyPZMVOFGYIPDIKH-UHFFFAOYSA-N
XLogP6.17
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.53
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine 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 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 139354869) is 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is Cc1nc(N2Cc3cn[nH]c3C2)ccc1-c1cc(COc2cc3c(cn2)CC(C)C3)c(F)cc1C(F)(F)F.
What is the InChIKey of 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is PZMVOFGYIPDIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F4N5O/c1-15-5-17-8-27(33-10-18(17)6-15)38-14-19-7-22(23(9-24(19)29)28(30,31)32)21-3-4-26(35-16(21)2)37-12-20-11-34-36-25(20)13-37/h3-4,7-11,15H,5-6,12-14H2,1-2H3,(H,34,36).
What are the key properties of 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 523.53 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methyl-3-pyridinyl]-2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 139354869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).