1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H18ClN5O2 — CID 11189006

IUPAC1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c2c(C)nn3-c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClN5O2/c1-12-18-19(25-14-4-3-5-16(10-14)29-2)17(20(23)28)11-24-21(18)27(26-12)15-8-6-13(22)7-9-15/h3-11H,1-2H3,(H2,23,28)(H,24,25)
InChIKeyHWKSBXMPCOLPNF-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.23
Rot. Bonds5

About 1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 11189006) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID11189006
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c2c(C)nn3-c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClN5O2/c1-12-18-19(25-14-4-3-5-16(10-14)29-2)17(20(23)28)11-24-21(18)27(26-12)15-8-6-13(22)7-9-15/h3-11H,1-2H3,(H2,23,28)(H,24,25)
InChIKeyHWKSBXMPCOLPNF-UHFFFAOYSA-N
XLogP4.23
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11292588
1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139904934
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
5-(4-chlorophenyl)-11-(3-methoxyphenyl)-3-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66507993
methyl (3S)-3-[3-[(5-carbamoyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)amino]phenoxy]pyrrolidine-1-carboxylate
CID 10002457
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
ethyl 4-(4-hydroxyanilino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11406597
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627055
N-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methylamino]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46382665
2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium
CID 7627054
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(3-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626977

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 11189006) is 1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3c2c(C)nn3-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HWKSBXMPCOLPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-12-18-19(25-14-4-3-5-16(10-14)29-2)17(20(23)28)11-24-21(18)27(26-12)15-8-6-13(22)7-9-15/h3-11H,1-2H3,(H2,23,28)(H,24,25).
What are the key properties of 1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 11189006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).