5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile

C26H25FN8 — CID 134327561

IUPAC5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
SMILESCN1CCN(c2ccc(-c3n[nH]c4cc(C#N)c(-c5c(F)ccc6c5CCNC6)nc34)cn2)CC1
InChIInChI=1S/C26H25FN8/c1-34-8-10-35(11-9-34)22-5-3-17(15-30-22)25-26-21(32-33-25)12-18(13-28)24(31-26)23-19-6-7-29-14-16(19)2-4-20(23)27/h2-5,12,15,29H,6-11,14H2,1H3,(H,32,33)
InChIKeyJREXNUMRWAHNCL-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.10
Rot. Bonds3

About 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile

5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile (PubChem CID 134327561) has the molecular formula C26H25FN8 and a molecular weight of 468.54 g/mol. Its IUPAC name is 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
PubChem CID134327561
Molecular FormulaC26H25FN8
Molecular Weight468.54 g/mol
Exact Mass468.22
IUPAC Name5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
SMILESCN1CCN(c2ccc(-c3n[nH]c4cc(C#N)c(-c5c(F)ccc6c5CCNC6)nc34)cn2)CC1
InChIInChI=1S/C26H25FN8/c1-34-8-10-35(11-9-34)22-5-3-17(15-30-22)25-26-21(32-33-25)12-18(13-28)24(31-26)23-19-6-7-29-14-16(19)2-4-20(23)27/h2-5,12,15,29H,6-11,14H2,1H3,(H,32,33)
InChIKeyJREXNUMRWAHNCL-UHFFFAOYSA-N
XLogP3.10
TPSA96.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
The IUPAC name of 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile (CID 134327561) is 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile is CN1CCN(c2ccc(-c3n[nH]c4cc(C#N)c(-c5c(F)ccc6c5CCNC6)nc34)cn2)CC1.
What is the InChIKey of 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
The InChIKey is JREXNUMRWAHNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8/c1-34-8-10-35(11-9-34)22-5-3-17(15-30-22)25-26-21(32-33-25)12-18(13-28)24(31-26)23-19-6-7-29-14-16(19)2-4-20(23)27/h2-5,12,15,29H,6-11,14H2,1H3,(H,32,33).
What are the key properties of 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile?
5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile has a molecular weight of 468.54 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-5-yl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 134327561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).