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

C29H25FN8O2 — CID 126739988

IUPAC4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]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)c5ccccc5F)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C29H25FN8O2/c1-35-17-22(16-33-35)20-12-24(27-21(13-31)15-34-38(27)18-20)19-6-7-26(32-14-19)36-8-10-37(11-9-36)29(40)28(39)23-4-2-3-5-25(23)30/h2-7,12,14-18,28,39H,8-11H2,1H3
InChIKeyAEVHNUITSFVPFS-UHFFFAOYSA-N
MW536.57 g/mol
LogP3.19
Rot. Bonds5

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

4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126739988) has the molecular formula C29H25FN8O2 and a molecular weight of 536.57 g/mol. Its IUPAC name is 4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126739988
Molecular FormulaC29H25FN8O2
Molecular Weight536.57 g/mol
Exact Mass536.21
IUPAC Name4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]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)c5ccccc5F)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C29H25FN8O2/c1-35-17-22(16-33-35)20-12-24(27-21(13-31)15-34-38(27)18-20)19-6-7-26(32-14-19)36-8-10-37(11-9-36)29(40)28(39)23-4-2-3-5-25(23)30/h2-7,12,14-18,28,39H,8-11H2,1H3
InChIKeyAEVHNUITSFVPFS-UHFFFAOYSA-N
XLogP3.19
TPSA115.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126739988) is 4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]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-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]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)c5ccccc5F)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is AEVHNUITSFVPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN8O2/c1-35-17-22(16-33-35)20-12-24(27-21(13-31)15-34-38(27)18-20)19-6-7-26(32-14-19)36-8-10-37(11-9-36)29(40)28(39)23-4-2-3-5-25(23)30/h2-7,12,14-18,28,39H,8-11H2,1H3.
What are the key properties of 4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 536.57 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126739988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).