N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C24H26N4OS — CID 24586586

IUPACN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)c2cnc3c(cnn3C(C)C)c2)s1
InChIInChI=1S/C24H26N4OS/c1-17(2)28-23-20(15-26-28)13-21(14-25-23)24(29)27(16-22-10-9-18(3)30-22)12-11-19-7-5-4-6-8-19/h4-10,13-15,17H,11-12,16H2,1-3H3
InChIKeyNYDOLDOBRQNXPK-UHFFFAOYSA-N
MW418.57 g/mol
LogP5.27
Rot. Bonds7

About N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24586586) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID24586586
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)c2cnc3c(cnn3C(C)C)c2)s1
InChIInChI=1S/C24H26N4OS/c1-17(2)28-23-20(15-26-28)13-21(14-25-23)24(29)27(16-22-10-9-18(3)30-22)12-11-19-7-5-4-6-8-19/h4-10,13-15,17H,11-12,16H2,1-3H3
InChIKeyNYDOLDOBRQNXPK-UHFFFAOYSA-N
XLogP5.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 24586586) is N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(CN(CCc2ccccc2)C(=O)c2cnc3c(cnn3C(C)C)c2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is NYDOLDOBRQNXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-17(2)28-23-20(15-26-28)13-21(14-25-23)24(29)27(16-22-10-9-18(3)30-22)12-11-19-7-5-4-6-8-19/h4-10,13-15,17H,11-12,16H2,1-3H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 418.57 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24586586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).