N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H25N5O2S — CID 55501146

IUPACN-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C(N)=O)c3ccccc3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C24H25N5O2S/c1-13(2)29-23-19(12-26-29)18(11-20(27-23)17-10-14(3)32-15(17)4)24(31)28-21(22(25)30)16-8-6-5-7-9-16/h5-13,21H,1-4H3,(H2,25,30)(H,28,31)
InChIKeyRDNNPSLSSDHAJP-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.31
Rot. Bonds6

About N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55501146) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55501146
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C(N)=O)c3ccccc3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C24H25N5O2S/c1-13(2)29-23-19(12-26-29)18(11-20(27-23)17-10-14(3)32-15(17)4)24(31)28-21(22(25)30)16-8-6-5-7-9-16/h5-13,21H,1-4H3,(H2,25,30)(H,28,31)
InChIKeyRDNNPSLSSDHAJP-UHFFFAOYSA-N
XLogP4.31
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51646868
6-(2,5-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26002280
6-(2,5-dimethylthiophen-3-yl)-N-[2-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605057
N-tert-butyl-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55508159
N-[2-(benzenesulfonyl)ethyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55734280
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25474467
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605044
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
6-(2,5-dimethylthiophen-3-yl)-N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 55507314
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24590843
6-(2,5-dimethylthiophen-3-yl)-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 24607861
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 47835399

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55501146) is N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NC(C(N)=O)c3ccccc3)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RDNNPSLSSDHAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-13(2)29-23-19(12-26-29)18(11-20(27-23)17-10-14(3)32-15(17)4)24(31)28-21(22(25)30)16-8-6-5-7-9-16/h5-13,21H,1-4H3,(H2,25,30)(H,28,31).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55501146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).