1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine

C20H23N5 — CID 134492325

IUPAC1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine
SMILESCc1cn(C(C)c2cnc3cnn(C)c3c2)c2ncc(C(C)C)cc12
InChIInChI=1S/C20H23N5/c1-12(2)15-6-17-13(3)11-25(20(17)22-8-15)14(4)16-7-19-18(21-9-16)10-23-24(19)5/h6-12,14H,1-5H3
InChIKeyVWAFAPQZACSDED-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.36
Rot. Bonds3

About 1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine

1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine (PubChem CID 134492325) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine
PubChem CID134492325
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine
SMILESCc1cn(C(C)c2cnc3cnn(C)c3c2)c2ncc(C(C)C)cc12
InChIInChI=1S/C20H23N5/c1-12(2)15-6-17-13(3)11-25(20(17)22-8-15)14(4)16-7-19-18(21-9-16)10-23-24(19)5/h6-12,14H,1-5H3
InChIKeyVWAFAPQZACSDED-UHFFFAOYSA-N
XLogP4.36
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine (CID 134492325) is 1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine is Cc1cn(C(C)c2cnc3cnn(C)c3c2)c2ncc(C(C)C)cc12.
What is the InChIKey of 1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine?
The InChIKey is VWAFAPQZACSDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-12(2)15-6-17-13(3)11-25(20(17)22-8-15)14(4)16-7-19-18(21-9-16)10-23-24(19)5/h6-12,14H,1-5H3.
What are the key properties of 1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine?
1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine has a molecular weight of 333.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[1-(3-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)ethyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 134492325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).