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

C89H67ClF5N27O4 — CID 164952844

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

4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164952844) has the molecular formula C89H67ClF5N27O4 and a molecular weight of 1709.14 g/mol. Its IUPAC name is 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164952844
• Molecular Formula: C89H67ClF5N27O4
• Molecular Weight: 1709.14 g/mol
• Exact Mass: 1707.55
• IUPAC Name: 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc(F)n1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)cc(Cl)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C30H22F3N9O.C30H24FN9O2.C29H21ClFN9O/c1-39-18-24(16-37-39)22-11-26(29-23(12-34)15-38-42(29)19-22)21-3-4-27(36-14-21)40-6-8-41(9-7-40)28(43)5-2-20-10-25(17-35-13-20)30(31,32)33;1-37-18-24(17-34-37)22-13-25(30-23(14-32)16-35-40(30)19-22)21-4-5-27(33-15-21)38-7-9-39(10-8-38)29(41)6-3-20-11-26(31)36-28(12-20)42-2;1-37-17-22(16-34-37)20-10-25(29-21(13-32)15-35-40(29)18-20)19-2-4-27(33-14-19)38-6-8-39(9-7-38)28(41)5-3-24-11-23(31)12-26(30)36-24/h3-4,10-11,13-19H,6-9H2,1H3;4-5,11-13,15-19H,7-10H2,1-2H3;2,4,10-12,14-18H,6-9H2,1H3
• InChIKey: ATRRCJJFRXHSTM-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 333.95 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.14
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164952844) is 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]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-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc(F)n1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)cc(Cl)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ATRRCJJFRXHSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F3N9O.C30H24FN9O2.C29H21ClFN9O/c1-39-18-24(16-37-39)22-11-26(29-23(12-34)15-38-42(29)19-22)21-3-4-27(36-14-21)40-6-8-41(9-7-40)28(43)5-2-20-10-25(17-35-13-20)30(31,32)33;1-37-18-24(17-34-37)22-13-25(30-23(14-32)16-35-40(30)19-22)21-4-5-27(33-15-21)38-7-9-39(10-8-38)29(41)6-3-20-11-26(31)36-28(12-20)42-2;1-37-17-22(16-34-37)20-10-25(29-21(13-32)15-35-40(29)18-20)19-2-4-27(33-14-19)38-6-8-39(9-7-38)28(41)5-3-24-11-23(31)12-26(30)36-24/h3-4,10-11,13-19H,6-9H2,1H3;4-5,11-13,15-19H,7-10H2,1-2H3;2,4,10-12,14-18H,6-9H2,1H3.

What are the key properties of 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1709.14 g/mol, XLogP of 10.25, 10 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)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-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164952844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).