5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C30H27F4N5 — CID 142488458

IUPAC5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(C)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(C(C)(F)F)cc1F)CC2
InChIInChI=1S/C30H27F4N5/c1-4-18-7-5-6-17(2)27(18)39-28(21-8-9-23(31)26-20(21)10-12-35-26)22-16-38(13-11-25(22)37-39)29-24(32)14-19(15-36-29)30(3,33)34/h5-10,12,14-15,35H,4,11,13,16H2,1-3H3
InChIKeyZLEHOMNBCKAPIA-UHFFFAOYSA-N
MW533.57 g/mol
LogP7.24
Rot. Bonds5

About 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 142488458) has the molecular formula C30H27F4N5 and a molecular weight of 533.57 g/mol. Its IUPAC name is 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID142488458
Molecular FormulaC30H27F4N5
Molecular Weight533.57 g/mol
Exact Mass533.22
IUPAC Name5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(C)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(C(C)(F)F)cc1F)CC2
InChIInChI=1S/C30H27F4N5/c1-4-18-7-5-6-17(2)27(18)39-28(21-8-9-23(31)26-20(21)10-12-35-26)22-16-38(13-11-25(22)37-39)29-24(32)14-19(15-36-29)30(3,33)34/h5-10,12,14-15,35H,4,11,13,16H2,1-3H3
InChIKeyZLEHOMNBCKAPIA-UHFFFAOYSA-N
XLogP7.24
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.57
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 142488458) is 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(C)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(C(C)(F)F)cc1F)CC2.
What is the InChIKey of 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is ZLEHOMNBCKAPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F4N5/c1-4-18-7-5-6-17(2)27(18)39-28(21-8-9-23(31)26-20(21)10-12-35-26)22-16-38(13-11-25(22)37-39)29-24(32)14-19(15-36-29)30(3,33)34/h5-10,12,14-15,35H,4,11,13,16H2,1-3H3.
What are the key properties of 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 533.57 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 142488458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).