4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C20H23ClN4O2 — CID 7626641

IUPAC4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)NCCCOC(C)C)c(Cl)c12
InChIInChI=1S/C20H23ClN4O2/c1-13(2)27-11-7-10-22-20(26)16-12-23-19-17(18(16)21)14(3)24-25(19)15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,22,26)
InChIKeyRSQHQPCOJBGINL-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.93
Rot. Bonds7

About 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7626641) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7626641
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)NCCCOC(C)C)c(Cl)c12
InChIInChI=1S/C20H23ClN4O2/c1-13(2)27-11-7-10-22-20(26)16-12-23-19-17(18(16)21)14(3)24-25(19)15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,22,26)
InChIKeyRSQHQPCOJBGINL-UHFFFAOYSA-N
XLogP3.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide 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-chloro-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626634
4-chloro-3-methyl-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626606
N-[(2R)-butan-2-yl]-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626608
4-chloro-3-methyl-1-phenyl-N-(1-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43996622
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626649
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626738
4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423439
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18583506
4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627055
4-chloro-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 7626641) is 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCCOC(C)C)c(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is RSQHQPCOJBGINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-13(2)27-11-7-10-22-20(26)16-12-23-19-17(18(16)21)14(3)24-25(19)15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,22,26).
What are the key properties of 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7626641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).