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

C20H23N5O2 — CID 32851473

IUPACN-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C20H23N5O2/c1-12(2)25-18-15(11-21-25)10-17(13(3)22-18)19(26)23-16-8-6-7-14(9-16)20(27)24(4)5/h6-12H,1-5H3,(H,23,26)
InChIKeyDCOSYRMGPNCETL-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.27
Rot. Bonds4

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

N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 32851473) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID32851473
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C20H23N5O2/c1-12(2)25-18-15(11-21-25)10-17(13(3)22-18)19(26)23-16-8-6-7-14(9-16)20(27)24(4)5/h6-12H,1-5H3,(H,23,26)
InChIKeyDCOSYRMGPNCETL-UHFFFAOYSA-N
XLogP3.27
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484239
N-[3-[(dimethylamino)methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 86932031
2-[[3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 120526302
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
N-[3-(diethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 33225377
6-methyl-1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43035643
6-methyl-N-(4-methyl-3-nitrophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25299268
N-(2-ethylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41499506
N-[2-[(4-chlorobenzoyl)amino]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55881316
6-methyl-N-(6-methylsulfonyl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78878630
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120604207
N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 43067938

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 32851473) is N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is DCOSYRMGPNCETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12(2)25-18-15(11-21-25)10-17(13(3)22-18)19(26)23-16-8-6-7-14(9-16)20(27)24(4)5/h6-12H,1-5H3,(H,23,26).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 32851473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).