N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C24H22ClN5O2 — CID 55881316

IUPACN-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN5O2/c1-14(2)30-22-17(13-26-30)12-19(15(3)27-22)24(32)29-21-7-5-4-6-20(21)28-23(31)16-8-10-18(25)11-9-16/h4-14H,1-3H3,(H,28,31)(H,29,32)
InChIKeyBDQAVHDMHJDUCW-UHFFFAOYSA-N
MW447.93 g/mol
LogP5.48
Rot. Bonds5

About N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55881316) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID55881316
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN5O2/c1-14(2)30-22-17(13-26-30)12-19(15(3)27-22)24(32)29-21-7-5-4-6-20(21)28-23(31)16-8-10-18(25)11-9-16/h4-14H,1-3H3,(H,28,31)(H,29,32)
InChIKeyBDQAVHDMHJDUCW-UHFFFAOYSA-N
XLogP5.48
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.93
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484356
N-(2-ethylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41499506
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55991899
N-(2,5-difluorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484970
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17497230
N-(2-chloro-4-fluorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485104
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120604207
6-methyl-1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43035643
N-[1-(2,4-dichlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17495919
N-(3-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484239
N-(2-methoxy-5-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485518
N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 32851473

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 55881316) is N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BDQAVHDMHJDUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-14(2)30-22-17(13-26-30)12-19(15(3)27-22)24(32)29-21-7-5-4-6-20(21)28-23(31)16-8-10-18(25)11-9-16/h4-14H,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55881316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).