4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C92H71F5N24O4 — CID 164973108

IUPAC4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(F)cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C31H23F3N8O.C31H25FN8O2.C30H23FN8O/c1-39-19-25(18-37-39)23-14-27(30-24(15-35)17-38-42(30)20-23)22-6-7-28(36-16-22)40-9-11-41(12-10-40)29(43)8-5-21-3-2-4-26(13-21)31(32,33)34;1-37-19-25(18-35-37)23-13-28(31-24(15-33)17-36-40(31)20-23)22-4-5-29(34-16-22)38-7-9-39(10-8-38)30(41)6-3-21-11-26(32)14-27(12-21)42-2;1-36-19-25(18-34-36)23-14-27(30-24(15-32)17-35-39(30)20-23)22-6-7-28(33-16-22)37-9-11-38(12-10-37)29(40)8-5-21-3-2-4-26(31)13-21/h2-4,6-7,13-14,16-20H,9-12H2,1H3;4-5,11-14,16-20H,7-10H2,1-2H3;2-4,6-7,13-14,16-20H,9-12H2,1H3
InChIKeyDJZAOOYJLTZLGM-UHFFFAOYSA-N
MW1671.73 g/mol
LogP11.41
Rot. Bonds10

About 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164973108) has the molecular formula C92H71F5N24O4 and a molecular weight of 1671.73 g/mol. Its IUPAC name is 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164973108
Molecular FormulaC92H71F5N24O4
Molecular Weight1671.73 g/mol
Exact Mass1670.60
IUPAC Name4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(F)cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C31H23F3N8O.C31H25FN8O2.C30H23FN8O/c1-39-19-25(18-37-39)23-14-27(30-24(15-35)17-38-42(30)20-23)22-6-7-28(36-16-22)40-9-11-41(12-10-40)29(43)8-5-21-3-2-4-26(13-21)31(32,33)34;1-37-19-25(18-35-37)23-13-28(31-24(15-33)17-36-40(31)20-23)22-4-5-29(34-16-22)38-7-9-39(10-8-38)30(41)6-3-21-11-26(32)14-27(12-21)42-2;1-36-19-25(18-34-36)23-14-27(30-24(15-32)17-35-39(30)20-23)22-6-7-28(33-16-22)37-9-11-38(12-10-37)29(40)8-5-21-3-2-4-26(31)13-21/h2-4,6-7,13-14,16-20H,9-12H2,1H3;4-5,11-14,16-20H,7-10H2,1-2H3;2-4,6-7,13-14,16-20H,9-12H2,1H3
InChIKeyDJZAOOYJLTZLGM-UHFFFAOYSA-N
XLogP11.41
TPSA295.28 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001671.73
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]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-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164973108) is 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(F)cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is DJZAOOYJLTZLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N8O.C31H25FN8O2.C30H23FN8O/c1-39-19-25(18-37-39)23-14-27(30-24(15-35)17-38-42(30)20-23)22-6-7-28(36-16-22)40-9-11-41(12-10-40)29(43)8-5-21-3-2-4-26(13-21)31(32,33)34;1-37-19-25(18-35-37)23-13-28(31-24(15-33)17-36-40(31)20-23)22-4-5-29(34-16-22)38-7-9-39(10-8-38)30(41)6-3-21-11-26(32)14-27(12-21)42-2;1-36-19-25(18-34-36)23-14-27(30-24(15-32)17-35-39(30)20-23)22-6-7-28(33-16-22)37-9-11-38(12-10-37)29(40)8-5-21-3-2-4-26(31)13-21/h2-4,6-7,13-14,16-20H,9-12H2,1H3;4-5,11-14,16-20H,7-10H2,1-2H3;2-4,6-7,13-14,16-20H,9-12H2,1H3.
What are the key properties of 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1671.73 g/mol, XLogP of 11.41, 10 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[3-(3-fluoro-5-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(3-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164973108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).