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

C18H15N7 — CID 121339267

IUPAC1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(Cn4ncc5cccnc54)c3c2)cn1
InChIInChI=1S/C18H15N7/c1-24-10-14(9-22-24)13-5-16-15(7-21-17(16)20-6-13)11-25-18-12(8-23-25)3-2-4-19-18/h2-10H,11H2,1H3,(H,20,21)
InChIKeyVBWQGHKGJVFFNJ-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.76
Rot. Bonds3

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

1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine (PubChem CID 121339267) has the molecular formula C18H15N7 and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine
PubChem CID121339267
Molecular FormulaC18H15N7
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(Cn4ncc5cccnc54)c3c2)cn1
InChIInChI=1S/C18H15N7/c1-24-10-14(9-22-24)13-5-16-15(7-21-17(16)20-6-13)11-25-18-12(8-23-25)3-2-4-19-18/h2-10H,11H2,1H3,(H,20,21)
InChIKeyVBWQGHKGJVFFNJ-UHFFFAOYSA-N
XLogP2.76
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine (CID 121339267) is 1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine is Cn1cc(-c2cnc3[nH]cc(Cn4ncc5cccnc54)c3c2)cn1.
What is the InChIKey of 1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is VBWQGHKGJVFFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7/c1-24-10-14(9-22-24)13-5-16-15(7-21-17(16)20-6-13)11-25-18-12(8-23-25)3-2-4-19-18/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine?
1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 329.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 121339267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).