3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine

C21H15N9 — CID 150258094

IUPAC3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cn(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6ccncn6)cc45)cc23)cn1
InChIInChI=1S/C21H15N9/c1-12-9-30(11-26-12)18-3-5-23-20-14(18)7-17(27-20)19-15-6-13(8-24-21(15)29-28-19)16-2-4-22-10-25-16/h2-11H,1H3,(H,23,27)(H,24,28,29)
InChIKeyGAZCSYQDKPUPOI-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.45
Rot. Bonds3

About 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine

3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 150258094) has the molecular formula C21H15N9 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID150258094
Molecular FormulaC21H15N9
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cn(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6ccncn6)cc45)cc23)cn1
InChIInChI=1S/C21H15N9/c1-12-9-30(11-26-12)18-3-5-23-20-14(18)7-17(27-20)19-15-6-13(8-24-21(15)29-28-19)16-2-4-22-10-25-16/h2-11H,1H3,(H,23,27)(H,24,28,29)
InChIKeyGAZCSYQDKPUPOI-UHFFFAOYSA-N
XLogP3.45
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 138604437
5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137038891
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
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137041164
5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137489065
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137040966
3,3-dimethyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137087857
1-cyclopentyl-N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137041122
5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145038216
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137111598
5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-2-propan-2-ylpyridin-3-amine
CID 137112399
2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137116929

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 150258094) is 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine is Cc1cn(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6ccncn6)cc45)cc23)cn1.
What is the InChIKey of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is GAZCSYQDKPUPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N9/c1-12-9-30(11-26-12)18-3-5-23-20-14(18)7-17(27-20)19-15-6-13(8-24-21(15)29-28-19)16-2-4-22-10-25-16/h2-11H,1H3,(H,23,27)(H,24,28,29).
What are the key properties of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 393.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 150258094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).