N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C22H26N6O2 — CID 86946840

IUPACN-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c2c(C)nn(C)c2n1
InChIInChI=1S/C22H26N6O2/c1-13-11-17(19-14(2)26-27(3)21(19)24-13)22(30)25-15-7-8-16(20(23)29)18(12-15)28-9-5-4-6-10-28/h7-8,11-12H,4-6,9-10H2,1-3H3,(H2,23,29)(H,25,30)
InChIKeyDFQGXODTOCLTHD-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.93
Rot. Bonds4

About N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 86946840) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID86946840
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c2c(C)nn(C)c2n1
InChIInChI=1S/C22H26N6O2/c1-13-11-17(19-14(2)26-27(3)21(19)24-13)22(30)25-15-7-8-16(20(23)29)18(12-15)28-9-5-4-6-10-28/h7-8,11-12H,4-6,9-10H2,1-3H3,(H2,23,29)(H,25,30)
InChIKeyDFQGXODTOCLTHD-UHFFFAOYSA-N
XLogP2.93
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16620957
N-[4-(cyclopropylcarbamoylamino)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55531978
1,3,6-trimethyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31864419
4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
N-(3-iodophenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621285
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
N-(1,3-benzothiazol-5-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 131889264
piperidin-1-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16620882
1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 38468248
N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56518414
1,3,6-trimethyl-N-(1-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622173

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 86946840) is N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is DFQGXODTOCLTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-13-11-17(19-14(2)26-27(3)21(19)24-13)22(30)25-15-7-8-16(20(23)29)18(12-15)28-9-5-4-6-10-28/h7-8,11-12H,4-6,9-10H2,1-3H3,(H2,23,29)(H,25,30).
What are the key properties of N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86946840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).