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

C17H13N7 — CID 137038113

IUPAC5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCn1cc(-c2cnc3n[nH]c(-c4cc5cccnc5[nH]4)c3c2)cn1
InChIInChI=1S/C17H13N7/c1-24-9-12(8-20-24)11-5-13-15(22-23-17(13)19-7-11)14-6-10-3-2-4-18-16(10)21-14/h2-9H,1H3,(H,18,21)(H,19,22,23)
InChIKeyNHNMGPSJHCVDJD-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.90
Rot. Bonds2

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

5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137038113) has the molecular formula C17H13N7 and a molecular weight of 315.34 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137038113
Molecular FormulaC17H13N7
Molecular Weight315.34 g/mol
Exact Mass315.12
IUPAC Name5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCn1cc(-c2cnc3n[nH]c(-c4cc5cccnc5[nH]4)c3c2)cn1
InChIInChI=1S/C17H13N7/c1-24-9-12(8-20-24)11-5-13-15(22-23-17(13)19-7-11)14-6-10-3-2-4-18-16(10)21-14/h2-9H,1H3,(H,18,21)(H,19,22,23)
InChIKeyNHNMGPSJHCVDJD-UHFFFAOYSA-N
XLogP2.90
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137038113) is 5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is Cn1cc(-c2cnc3n[nH]c(-c4cc5cccnc5[nH]4)c3c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is NHNMGPSJHCVDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7/c1-24-9-12(8-20-24)11-5-13-15(22-23-17(13)19-7-11)14-6-10-3-2-4-18-16(10)21-14/h2-9H,1H3,(H,18,21)(H,19,22,23).
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 315.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137038113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).