6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H24F3N9 — CID 126740188

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(C(F)(F)F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C28H24F3N9/c1-37-17-23(15-35-37)21-10-24(27-22(11-32)14-36-40(27)18-21)20-3-5-26(34-13-20)39-8-6-38(7-9-39)16-19-2-4-25(33-12-19)28(29,30)31/h2-5,10,12-15,17-18H,6-9,16H2,1H3
InChIKeyJTSVIDVOUXJBKH-UHFFFAOYSA-N
MW543.56 g/mol
LogP4.40
Rot. Bonds5

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

6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740188) has the molecular formula C28H24F3N9 and a molecular weight of 543.56 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740188
Molecular FormulaC28H24F3N9
Molecular Weight543.56 g/mol
Exact Mass543.21
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(C(F)(F)F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C28H24F3N9/c1-37-17-23(15-35-37)21-10-24(27-22(11-32)14-36-40(27)18-21)20-3-5-26(34-13-20)39-8-6-38(7-9-39)16-19-2-4-25(33-12-19)28(29,30)31/h2-5,10,12-15,17-18H,6-9,16H2,1H3
InChIKeyJTSVIDVOUXJBKH-UHFFFAOYSA-N
XLogP4.40
TPSA91.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.56
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740188) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(C(F)(F)F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JTSVIDVOUXJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N9/c1-37-17-23(15-35-37)21-10-24(27-22(11-32)14-36-40(27)18-21)20-3-5-26(34-13-20)39-8-6-38(7-9-39)16-19-2-4-25(33-12-19)28(29,30)31/h2-5,10,12-15,17-18H,6-9,16H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 543.56 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).