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

C28H25F2N9O — CID 126740221

IUPAC4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(OC(F)F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C28H25F2N9O/c1-36-17-23(15-34-36)21-10-24(27-22(11-31)14-35-39(27)18-21)20-3-4-25(32-13-20)38-8-6-37(7-9-38)16-19-2-5-26(33-12-19)40-28(29)30/h2-5,10,12-15,17-18,28H,6-9,16H2,1H3
InChIKeyKCEVFGQTKXWUBA-UHFFFAOYSA-N
MW541.57 g/mol
LogP3.99
Rot. Bonds7

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

4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740221) has the molecular formula C28H25F2N9O and a molecular weight of 541.57 g/mol. Its IUPAC name is 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740221
Molecular FormulaC28H25F2N9O
Molecular Weight541.57 g/mol
Exact Mass541.22
IUPAC Name4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(OC(F)F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C28H25F2N9O/c1-36-17-23(15-34-36)21-10-24(27-22(11-31)14-35-39(27)18-21)20-3-4-25(32-13-20)38-8-6-37(7-9-38)16-19-2-5-26(33-12-19)40-28(29)30/h2-5,10,12-15,17-18,28H,6-9,16H2,1H3
InChIKeyKCEVFGQTKXWUBA-UHFFFAOYSA-N
XLogP3.99
TPSA100.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.57
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740221) is 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]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-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(OC(F)F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KCEVFGQTKXWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N9O/c1-36-17-23(15-34-36)21-10-24(27-22(11-31)14-35-39(27)18-21)20-3-4-25(32-13-20)38-8-6-37(7-9-38)16-19-2-5-26(33-12-19)40-28(29)30/h2-5,10,12-15,17-18,28H,6-9,16H2,1H3.
What are the key properties of 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 541.57 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[[6-(difluoromethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).