4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide

C20H27N5O2 — CID 46340909

IUPAC4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide
SMILESCOCCCNC(=O)CCCn1nc(-n2cccc2)c2c(C)cc(C)nc21
InChIInChI=1S/C20H27N5O2/c1-15-14-16(2)22-19-18(15)20(24-10-4-5-11-24)23-25(19)12-6-8-17(26)21-9-7-13-27-3/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,21,26)
InChIKeyZXDYQHXDHCKTPV-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.77
Rot. Bonds9

About 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide

4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide (PubChem CID 46340909) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide.

Molecular Properties

Compound Name4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide
PubChem CID46340909
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide
SMILESCOCCCNC(=O)CCCn1nc(-n2cccc2)c2c(C)cc(C)nc21
InChIInChI=1S/C20H27N5O2/c1-15-14-16(2)22-19-18(15)20(24-10-4-5-11-24)23-25(19)12-6-8-17(26)21-9-7-13-27-3/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,21,26)
InChIKeyZXDYQHXDHCKTPV-UHFFFAOYSA-N
XLogP2.77
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
CID 46340878
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 20948314
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 20948279
N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559507
N-(3-methoxypropyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84565197
N-(3-methoxypropyl)-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 22514299
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethoxy)acetamide
CID 103601796
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 19516733
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide?
The IUPAC name of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide (CID 46340909) is 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide.
What is the SMILES notation for 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide?
The canonical SMILES for 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide is COCCCNC(=O)CCCn1nc(-n2cccc2)c2c(C)cc(C)nc21.
What is the InChIKey of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide?
The InChIKey is ZXDYQHXDHCKTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-14-16(2)22-19-18(15)20(24-10-4-5-11-24)23-25(19)12-6-8-17(26)21-9-7-13-27-3/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,21,26).
What are the key properties of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide?
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide has a molecular weight of 369.47 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide is sourced from PubChem (CID 46340909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).