6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C19H30N4O — CID 55538272

IUPAC6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H30N4O/c1-12(2)23-16-14(10-20-23)9-15(13(3)21-16)17(24)22-19(7,8)11-18(4,5)6/h9-10,12H,11H2,1-8H3,(H,22,24)
InChIKeyUZRFHISNUSMVKW-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.27
Rot. Bonds4

About 6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55538272) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID55538272
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H30N4O/c1-12(2)23-16-14(10-20-23)9-15(13(3)21-16)17(24)22-19(7,8)11-18(4,5)6/h9-10,12H,11H2,1-8H3,(H,22,24)
InChIKeyUZRFHISNUSMVKW-UHFFFAOYSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 55538272) is 6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is UZRFHISNUSMVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-12(2)23-16-14(10-20-23)9-15(13(3)21-16)17(24)22-19(7,8)11-18(4,5)6/h9-10,12H,11H2,1-8H3,(H,22,24).
What are the key properties of 6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55538272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).