6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)

C80H82BrN23O3 — CID 165093826

IUPAC6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(Br)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/2C28H30N8O.C24H22BrN7O/c2*1-37-27-7-4-21(16-31-27)19-33-10-12-35(13-11-33)26-6-5-22(17-30-26)25-14-24(34-8-2-3-9-34)20-36-28(25)23(15-29)18-32-36;1-33-23-5-2-17(12-28-23)15-30-6-8-31(9-7-30)22-4-3-18(13-27-22)21-10-20(25)16-32-24(21)19(11-26)14-29-32/h2*4-7,14,16-18,20H,2-3,8-13,19H2,1H3;2-5,10,12-14,16H,6-9,15H2,1H3
InChIKeyXDYWQWGOXIHJFQ-UHFFFAOYSA-N
MW1493.60 g/mol
LogP10.94
Rot. Bonds17

About 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)

6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) (PubChem CID 165093826) has the molecular formula C80H82BrN23O3 and a molecular weight of 1493.60 g/mol. Its IUPAC name is 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile).

Molecular Properties

Compound Name6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
PubChem CID165093826
Molecular FormulaC80H82BrN23O3
Molecular Weight1493.60 g/mol
Exact Mass1491.62
IUPAC Name6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(Br)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/2C28H30N8O.C24H22BrN7O/c2*1-37-27-7-4-21(16-31-27)19-33-10-12-35(13-11-33)26-6-5-22(17-30-26)25-14-24(34-8-2-3-9-34)20-36-28(25)23(15-29)18-32-36;1-33-23-5-2-17(12-28-23)15-30-6-8-31(9-7-30)22-4-3-18(13-27-22)21-10-20(25)16-32-24(21)19(11-26)14-29-32/h2*4-7,14,16-18,20H,2-3,8-13,19H2,1H3;2-5,10,12-14,16H,6-9,15H2,1H3
InChIKeyXDYWQWGOXIHJFQ-UHFFFAOYSA-N
XLogP10.94
TPSA254.22 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001493.60
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[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

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CID 155296190
US10023570, Example 457
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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
4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155180883
4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155181063
6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169286253

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?
The IUPAC name of 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) (CID 165093826) is 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile).
What is the SMILES notation for 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?
The canonical SMILES for 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) is COc1ccc(CN2CCN(c3ccc(-c4cc(Br)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?
The InChIKey is XDYWQWGOXIHJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H30N8O.C24H22BrN7O/c2*1-37-27-7-4-21(16-31-27)19-33-10-12-35(13-11-33)26-6-5-22(17-30-26)25-14-24(34-8-2-3-9-34)20-36-28(25)23(15-29)18-32-36;1-33-23-5-2-17(12-28-23)15-30-6-8-31(9-7-30)22-4-3-18(13-27-22)21-10-20(25)16-32-24(21)19(11-26)14-29-32/h2*4-7,14,16-18,20H,2-3,8-13,19H2,1H3;2-5,10,12-14,16H,6-9,15H2,1H3.
What are the key properties of 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?
6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) has a molecular weight of 1493.60 g/mol, XLogP of 10.94, 17 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) is sourced from PubChem (CID 165093826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).