3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine

C21H20N10 — CID 137056885

IUPAC3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCN1CCN(c2ccnc3nc(-c4[nH]nc5ncc(-c6cnccn6)cc45)[nH]c23)CC1
InChIInChI=1S/C21H20N10/c1-30-6-8-31(9-7-30)16-2-3-24-20-18(16)26-21(27-20)17-14-10-13(11-25-19(14)29-28-17)15-12-22-4-5-23-15/h2-5,10-12H,6-9H2,1H3,(H,24,26,27)(H,25,28,29)
InChIKeyKQKRIVIIJATRDK-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.11
Rot. Bonds3

About 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine

3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137056885) has the molecular formula C21H20N10 and a molecular weight of 412.46 g/mol. Its IUPAC name is 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID137056885
Molecular FormulaC21H20N10
Molecular Weight412.46 g/mol
Exact Mass412.19
IUPAC Name3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCN1CCN(c2ccnc3nc(-c4[nH]nc5ncc(-c6cnccn6)cc45)[nH]c23)CC1
InChIInChI=1S/C21H20N10/c1-30-6-8-31(9-7-30)16-2-3-24-20-18(16)26-21(27-20)17-14-10-13(11-25-19(14)29-28-17)15-12-22-4-5-23-15/h2-5,10-12H,6-9H2,1H3,(H,24,26,27)(H,25,28,29)
InChIKeyKQKRIVIIJATRDK-UHFFFAOYSA-N
XLogP2.11
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
CID 137056878
3,3-dimethyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137056126
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145037945
7-(4-methylpiperazin-1-yl)-2-(3-pyrazin-2-yl-1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine
CID 137042187
2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137056920
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040932
3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 136944995
3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056079
N-[5-[7-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 137134437
5-(5-fluoro-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145038352
N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137134050
N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137134048

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine (CID 137056885) is 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine is CN1CCN(c2ccnc3nc(-c4[nH]nc5ncc(-c6cnccn6)cc45)[nH]c23)CC1.
What is the InChIKey of 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is KQKRIVIIJATRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N10/c1-30-6-8-31(9-7-30)16-2-3-24-20-18(16)26-21(27-20)17-14-10-13(11-25-19(14)29-28-17)15-12-22-4-5-23-15/h2-5,10-12H,6-9H2,1H3,(H,24,26,27)(H,25,28,29).
What are the key properties of 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine?
3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 412.46 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137056885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).