5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C33H34FN5 — CID 170176212

IUPAC5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(c1ncc(C3CC3)cc1F)CC2
InChIInChI=1S/C33H34FN5/c1-4-21-7-6-8-22(5-2)31(21)39-32(26-12-9-20(3)30-25(26)13-15-35-30)27-19-38(16-14-29(27)37-39)33-28(34)17-24(18-36-33)23-10-11-23/h6-9,12-13,15,17-18,23,35H,4-5,10-11,14,16,19H2,1-3H3
InChIKeySKPDUJOEVWNEOY-UHFFFAOYSA-N
MW519.67 g/mol
LogP7.43
Rot. Bonds6

About 5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 170176212) has the molecular formula C33H34FN5 and a molecular weight of 519.67 g/mol. Its IUPAC name is 5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID170176212
Molecular FormulaC33H34FN5
Molecular Weight519.67 g/mol
Exact Mass519.28
IUPAC Name5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(c1ncc(C3CC3)cc1F)CC2
InChIInChI=1S/C33H34FN5/c1-4-21-7-6-8-22(5-2)31(21)39-32(26-12-9-20(3)30-25(26)13-15-35-30)27-19-38(16-14-29(27)37-39)33-28(34)17-24(18-36-33)23-10-11-23/h6-9,12-13,15,17-18,23,35H,4-5,10-11,14,16,19H2,1-3H3
InChIKeySKPDUJOEVWNEOY-UHFFFAOYSA-N
XLogP7.43
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.67
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-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-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 170176212) is 5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(c1ncc(C3CC3)cc1F)CC2.
What is the InChIKey of 5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is SKPDUJOEVWNEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN5/c1-4-21-7-6-8-22(5-2)31(21)39-32(26-12-9-20(3)30-25(26)13-15-35-30)27-19-38(16-14-29(27)37-39)33-28(34)17-24(18-36-33)23-10-11-23/h6-9,12-13,15,17-18,23,35H,4-5,10-11,14,16,19H2,1-3H3.
What are the key properties of 5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 519.67 g/mol, XLogP of 7.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170176212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).