4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H27FN8O2 — CID 135165764

IUPAC4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(O)Cc5cccc(F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H27FN8O2/c1-36-18-24(17-34-36)22-13-26(29-23(14-32)16-35-39(29)19-22)21-5-6-28(33-15-21)37-7-9-38(10-8-37)30(41)27(40)12-20-3-2-4-25(31)11-20/h2-6,11,13,15-19,27,40H,7-10,12H2,1H3
InChIKeyJKZIQZOUJBLOMD-UHFFFAOYSA-N
MW550.60 g/mol
LogP3.06
Rot. Bonds6

About 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 135165764) has the molecular formula C30H27FN8O2 and a molecular weight of 550.60 g/mol. Its IUPAC name is 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID135165764
Molecular FormulaC30H27FN8O2
Molecular Weight550.60 g/mol
Exact Mass550.22
IUPAC Name4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(O)Cc5cccc(F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H27FN8O2/c1-36-18-24(17-34-36)22-13-26(29-23(14-32)16-35-39(29)19-22)21-5-6-28(33-15-21)37-7-9-38(10-8-37)30(41)27(40)12-20-3-2-4-25(31)11-20/h2-6,11,13,15-19,27,40H,7-10,12H2,1H3
InChIKeyJKZIQZOUJBLOMD-UHFFFAOYSA-N
XLogP3.06
TPSA115.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.60
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

(2S)-2-(4-fluorophenyl)-2-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032881
(2R)-2-(4-fluorophenyl)-2-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032886
US10023570, Example 39
CID 124199478
US10023570, Example 59
CID 124199637
US10023570, Example 61
CID 124199638
US10023570, Example 164
CID 124199692
US10023570, Example 345
CID 124199718
US10023570, Example 346
CID 124199721
US10023570, Example 585
CID 124199730
US10023570, Example 114
CID 124199892
US10023570, Example 116
CID 124199893
US10023570, Example 154
CID 124199913

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 135165764) is 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(O)Cc5cccc(F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JKZIQZOUJBLOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN8O2/c1-36-18-24(17-34-36)22-13-26(29-23(14-32)16-35-39(29)19-22)21-5-6-28(33-15-21)37-7-9-38(10-8-37)30(41)27(40)12-20-3-2-4-25(31)11-20/h2-6,11,13,15-19,27,40H,7-10,12H2,1H3.
What are the key properties of 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 550.60 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[3-(3-fluorophenyl)-2-hydroxypropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 135165764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).