N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide

C23H26N6O — CID 19487077

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCCn1nccc1CN(C)C(=O)Cn1nc(C)c2c(-c3ccc(C)cc3)ccnc21
InChIInChI=1S/C23H26N6O/c1-5-28-19(10-13-25-28)14-27(4)21(30)15-29-23-22(17(3)26-29)20(11-12-24-23)18-8-6-16(2)7-9-18/h6-13H,5,14-15H2,1-4H3
InChIKeyXNOIVVYEMZIWDS-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.59
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide

N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 19487077) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID19487077
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCCn1nccc1CN(C)C(=O)Cn1nc(C)c2c(-c3ccc(C)cc3)ccnc21
InChIInChI=1S/C23H26N6O/c1-5-28-19(10-13-25-28)14-27(4)21(30)15-29-23-22(17(3)26-29)20(11-12-24-23)18-8-6-16(2)7-9-18/h6-13H,5,14-15H2,1-4H3
InChIKeyXNOIVVYEMZIWDS-UHFFFAOYSA-N
XLogP3.59
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 19487077) is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide is CCn1nccc1CN(C)C(=O)Cn1nc(C)c2c(-c3ccc(C)cc3)ccnc21.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is XNOIVVYEMZIWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-5-28-19(10-13-25-28)14-27(4)21(30)15-29-23-22(17(3)26-29)20(11-12-24-23)18-8-6-16(2)7-9-18/h6-13H,5,14-15H2,1-4H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19487077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).