1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine

C19H21N7 — CID 167943942

IUPAC1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine
SMILESCN1CCC(n2ncc3cc(-c4cnc5c(cnn5C)c4)cnc32)CC1
InChIInChI=1S/C19H21N7/c1-24-5-3-17(4-6-24)26-19-16(12-23-26)8-14(10-21-19)13-7-15-11-22-25(2)18(15)20-9-13/h7-12,17H,3-6H2,1-2H3
InChIKeyMLDBPQKRIWNTMT-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.65
Rot. Bonds2

About 1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine

1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine (PubChem CID 167943942) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine
PubChem CID167943942
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine
SMILESCN1CCC(n2ncc3cc(-c4cnc5c(cnn5C)c4)cnc32)CC1
InChIInChI=1S/C19H21N7/c1-24-5-3-17(4-6-24)26-19-16(12-23-26)8-14(10-21-19)13-7-15-11-22-25(2)18(15)20-9-13/h7-12,17H,3-6H2,1-2H3
InChIKeyMLDBPQKRIWNTMT-UHFFFAOYSA-N
XLogP2.65
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine (CID 167943942) is 1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine is CN1CCC(n2ncc3cc(-c4cnc5c(cnn5C)c4)cnc32)CC1.
What is the InChIKey of 1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine?
The InChIKey is MLDBPQKRIWNTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-24-5-3-17(4-6-24)26-19-16(12-23-26)8-14(10-21-19)13-7-15-11-22-25(2)18(15)20-9-13/h7-12,17H,3-6H2,1-2H3.
What are the key properties of 1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine?
1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine has a molecular weight of 347.43 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 167943942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).