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

C25H25FN4O2 — CID 175751910

IUPAC(7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCCc1cccc(CC)c1-n1cc2c(n1)CCN(C(=O)Oc1ccc(F)c3[nH]ccc13)C2
InChIInChI=1S/C25H25FN4O2/c1-3-16-6-5-7-17(4-2)24(16)30-15-18-14-29(13-11-21(18)28-30)25(31)32-22-9-8-20(26)23-19(22)10-12-27-23/h5-10,12,15,27H,3-4,11,13-14H2,1-2H3
InChIKeyBQLHYTRSWVQNRV-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.17
Rot. Bonds4

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

(7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 175751910) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is (7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name(7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID175751910
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name(7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCCc1cccc(CC)c1-n1cc2c(n1)CCN(C(=O)Oc1ccc(F)c3[nH]ccc13)C2
InChIInChI=1S/C25H25FN4O2/c1-3-16-6-5-7-17(4-2)24(16)30-15-18-14-29(13-11-21(18)28-30)25(31)32-22-9-8-20(26)23-19(22)10-12-27-23/h5-10,12,15,27H,3-4,11,13-14H2,1-2H3
InChIKeyBQLHYTRSWVQNRV-UHFFFAOYSA-N
XLogP5.17
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of (7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (CID 175751910) is (7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for (7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for (7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is CCc1cccc(CC)c1-n1cc2c(n1)CCN(C(=O)Oc1ccc(F)c3[nH]ccc13)C2.
What is the InChIKey of (7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is BQLHYTRSWVQNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-3-16-6-5-7-17(4-2)24(16)30-15-18-14-29(13-11-21(18)28-30)25(31)32-22-9-8-20(26)23-19(22)10-12-27-23/h5-10,12,15,27H,3-4,11,13-14H2,1-2H3.
What are the key properties of (7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
(7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 432.50 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1H-indol-4-yl) 2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 175751910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).