4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile)

C137H130N46O3 — CID 160626661

IUPAC4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile)
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cc3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C29H28N8O.2C28H27N9O.2C26H24N10/c1-34-19-25(17-32-34)23-13-27(29-24(14-30)16-33-37(29)20-23)22-4-6-26(7-5-22)36-11-9-35(10-12-36)18-21-3-8-28(38-2)31-15-21;2*1-34-18-24(16-32-34)22-11-25(28-23(12-29)15-33-37(28)19-22)21-4-5-26(30-14-21)36-9-7-35(8-10-36)17-20-3-6-27(38-2)31-13-20;2*1-33-16-22(15-31-33)20-11-23(26-21(12-27)14-32-36(26)17-20)19-3-4-25(30-13-19)35-9-7-34(8-10-35)18-24-28-5-2-6-29-24/h3-8,13,15-17,19-20H,9-12,18H2,1-2H3;2*3-6,11,13-16,18-19H,7-10,17H2,1-2H3;2*2-6,11,13-17H,7-10,18H2,1H3
InChIKeyRHJSOFKKWDKLGI-UHFFFAOYSA-N
MW2468.87 g/mol
LogP16.35
Rot. Bonds28

About 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile)

4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile) (PubChem CID 160626661) has the molecular formula C137H130N46O3 and a molecular weight of 2468.87 g/mol. Its IUPAC name is 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile).

Molecular Properties

Compound Name4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile)
PubChem CID160626661
Molecular FormulaC137H130N46O3
Molecular Weight2468.87 g/mol
Exact Mass2467.14
IUPAC Name4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile)
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cc3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C29H28N8O.2C28H27N9O.2C26H24N10/c1-34-19-25(17-32-34)23-13-27(29-24(14-30)16-33-37(29)20-23)22-4-6-26(7-5-22)36-11-9-35(10-12-36)18-21-3-8-28(38-2)31-15-21;2*1-34-18-24(16-32-34)22-11-25(28-23(12-29)15-33-37(28)19-22)21-4-5-26(30-14-21)36-9-7-35(8-10-36)17-20-3-6-27(38-2)31-13-20;2*1-33-16-22(15-31-33)20-11-23(26-21(12-27)14-32-36(26)17-20)19-3-4-25(30-13-19)35-9-7-34(8-10-35)18-24-28-5-2-6-29-24/h3-8,13,15-17,19-20H,9-12,18H2,1-2H3;2*3-6,11,13-16,18-19H,7-10,17H2,1-2H3;2*2-6,11,13-17H,7-10,18H2,1H3
InChIKeyRHJSOFKKWDKLGI-UHFFFAOYSA-N
XLogP16.35
TPSA496.43 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds28
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002468.87
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Soxataltinib
CID 155296190
3-(3-methoxyphenyl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879518
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
US10023570, Example 457
CID 124199389
US10023570, Example 736
CID 124200174
US10023570, Example 666
CID 124200183
US10023570, Example 696
CID 124200223
US10023570, Example 675
CID 126740221
US10023570, Example 674
CID 126740224
US10174027, Example 673
CID 126740374
US10174028, Example 688
CID 135165770
US10174028, Example 689
CID 135165771

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?
The IUPAC name of 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile) (CID 160626661) is 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile).
What is the SMILES notation for 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?
The canonical SMILES for 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile) is COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cc3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ncccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?
The InChIKey is RHJSOFKKWDKLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O.2C28H27N9O.2C26H24N10/c1-34-19-25(17-32-34)23-13-27(29-24(14-30)16-33-37(29)20-23)22-4-6-26(7-5-22)36-11-9-35(10-12-36)18-21-3-8-28(38-2)31-15-21;2*1-34-18-24(16-32-34)22-11-25(28-23(12-29)15-33-37(28)19-22)21-4-5-26(30-14-21)36-9-7-35(8-10-36)17-20-3-6-27(38-2)31-13-20;2*1-33-16-22(15-31-33)20-11-23(26-21(12-27)14-32-36(26)17-20)19-3-4-25(30-13-19)35-9-7-34(8-10-35)18-24-28-5-2-6-29-24/h3-8,13,15-17,19-20H,9-12,18H2,1-2H3;2*3-6,11,13-16,18-19H,7-10,17H2,1-2H3;2*2-6,11,13-17H,7-10,18H2,1H3.
What are the key properties of 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?
4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile) has a molecular weight of 2468.87 g/mol, XLogP of 16.35, 28 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);bis(6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile) is sourced from PubChem (CID 160626661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).