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

C16H11N7 — CID 137041146

IUPAC5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cnc2cc(-c3[nH]nc4ncc(-c5cn[nH]c5)cc34)[nH]c2c1
InChIInChI=1S/C16H11N7/c1-2-12-13(17-3-1)5-14(21-12)15-11-4-9(10-7-19-20-8-10)6-18-16(11)23-22-15/h1-8,21H,(H,19,20)(H,18,22,23)
InChIKeyVOMMTHSFGDQNMO-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.89
Rot. Bonds2

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

5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137041146) has the molecular formula C16H11N7 and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137041146
Molecular FormulaC16H11N7
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cnc2cc(-c3[nH]nc4ncc(-c5cn[nH]c5)cc34)[nH]c2c1
InChIInChI=1S/C16H11N7/c1-2-12-13(17-3-1)5-14(21-12)15-11-4-9(10-7-19-20-8-10)6-18-16(11)23-22-15/h1-8,21H,(H,19,20)(H,18,22,23)
InChIKeyVOMMTHSFGDQNMO-UHFFFAOYSA-N
XLogP2.89
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041218
5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041330
1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine
CID 137087622
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145295
5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137038800
1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137087619
3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137041175
3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 137145333
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137311971
5-pyridin-3-yl-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136932197
2-[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136945577
3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137040870

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137041146) is 5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1cnc2cc(-c3[nH]nc4ncc(-c5cn[nH]c5)cc34)[nH]c2c1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is VOMMTHSFGDQNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7/c1-2-12-13(17-3-1)5-14(21-12)15-11-4-9(10-7-19-20-8-10)6-18-16(11)23-22-15/h1-8,21H,(H,19,20)(H,18,22,23).
What are the key properties of 5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 301.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137041146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).