N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C24H32N4O2 — CID 86954768

IUPACN-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(C)nc3c2c(C)nn3C)cc1
InChIInChI=1S/C24H32N4O2/c1-16-14-20(21-17(2)26-27(6)22(21)25-16)23(29)28(15-24(3,4)5)13-12-18-8-10-19(30-7)11-9-18/h8-11,14H,12-13,15H2,1-7H3
InChIKeyCUFFGZRYKPMDHC-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.32
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 86954768) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID86954768
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(C)nc3c2c(C)nn3C)cc1
InChIInChI=1S/C24H32N4O2/c1-16-14-20(21-17(2)26-27(6)22(21)25-16)23(29)28(15-24(3,4)5)13-12-18-8-10-19(30-7)11-9-18/h8-11,14H,12-13,15H2,1-7H3
InChIKeyCUFFGZRYKPMDHC-UHFFFAOYSA-N
XLogP4.32
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 86954768) is N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(C)nc3c2c(C)nn3C)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is CUFFGZRYKPMDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16-14-20(21-17(2)26-27(6)22(21)25-16)23(29)28(15-24(3,4)5)13-12-18-8-10-19(30-7)11-9-18/h8-11,14H,12-13,15H2,1-7H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86954768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).