N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide

C17H19N5O — CID 20948315

IUPACN-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide
SMILESCc1cc(C)c2c(-n3cccc3)nn(CC(=O)NC3CC3)c2n1
InChIInChI=1S/C17H19N5O/c1-11-9-12(2)18-16-15(11)17(21-7-3-4-8-21)20-22(16)10-14(23)19-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H,19,23)
InChIKeySDTHMJCMOQEZBI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.12
Rot. Bonds4

About N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide

N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide (PubChem CID 20948315) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide
PubChem CID20948315
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide
SMILESCc1cc(C)c2c(-n3cccc3)nn(CC(=O)NC3CC3)c2n1
InChIInChI=1S/C17H19N5O/c1-11-9-12(2)18-16-15(11)17(21-7-3-4-8-21)20-22(16)10-14(23)19-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H,19,23)
InChIKeySDTHMJCMOQEZBI-UHFFFAOYSA-N
XLogP2.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 20948279
1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247585
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 20948383
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide
CID 46340909
N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
CID 46340878
1-[2-(cyclohexylamino)-2-oxoethyl]-3-cyclopropyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247688
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 20948437
N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
CID 20948423
methyl 6-cyclopropyl-1-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247593
2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-cyclopropylacetamide
CID 46350251
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 19505821
N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20890135

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide (CID 20948315) is N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide is Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)NC3CC3)c2n1.
What is the InChIKey of N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The InChIKey is SDTHMJCMOQEZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-9-12(2)18-16-15(11)17(21-7-3-4-8-21)20-22(16)10-14(23)19-13-5-6-13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H,19,23).
What are the key properties of N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 20948315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).