N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C22H27N5O — CID 124608841

IUPACN-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c2cnn(C)c2n1
InChIInChI=1S/C22H27N5O/c1-15-11-19(20-13-23-26(3)21(20)24-15)22(28)25-18-9-10-27(16(2)12-18)14-17-7-5-4-6-8-17/h4-8,11,13,16,18H,9-10,12,14H2,1-3H3,(H,25,28)/t16-,18+/m1/s1
InChIKeyWUOYLXPJOLCCJR-AEFFLSMTSA-N
MW377.49 g/mol
LogP3.06
Rot. Bonds4

About N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 124608841) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID124608841
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c2cnn(C)c2n1
InChIInChI=1S/C22H27N5O/c1-15-11-19(20-13-23-26(3)21(20)24-15)22(28)25-18-9-10-27(16(2)12-18)14-17-7-5-4-6-8-17/h4-8,11,13,16,18H,9-10,12,14H2,1-3H3,(H,25,28)/t16-,18+/m1/s1
InChIKeyWUOYLXPJOLCCJR-AEFFLSMTSA-N
XLogP3.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 124608841) is N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c2cnn(C)c2n1.
What is the InChIKey of N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is WUOYLXPJOLCCJR-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-11-19(20-13-23-26(3)21(20)24-15)22(28)25-18-9-10-27(16(2)12-18)14-17-7-5-4-6-8-17/h4-8,11,13,16,18H,9-10,12,14H2,1-3H3,(H,25,28)/t16-,18+/m1/s1.
What are the key properties of N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 124608841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).