4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

C26H35N7O2 — CID 69247595

IUPAC4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1)c1ccc(C)cc1C
InChIInChI=1S/C26H35N7O2/c1-5-22(19-8-7-16(3)13-17(19)4)31-25(34)21-14-28-24-20(15-29-33(24)6-2)23(21)30-18-9-11-32(12-10-18)26(27)35/h7-8,13-15,18,22H,5-6,9-12H2,1-4H3,(H2,27,35)(H,28,30)(H,31,34)/t22-/m1/s1
InChIKeyZLXYCHQCDQTMLF-JOCHJYFZSA-N
MW477.61 g/mol
LogP3.90
Rot. Bonds7

About 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69247595) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69247595
Molecular FormulaC26H35N7O2
Molecular Weight477.61 g/mol
Exact Mass477.29
IUPAC Name4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1)c1ccc(C)cc1C
InChIInChI=1S/C26H35N7O2/c1-5-22(19-8-7-16(3)13-17(19)4)31-25(34)21-14-28-24-20(15-29-33(24)6-2)23(21)30-18-9-11-32(12-10-18)26(27)35/h7-8,13-15,18,22H,5-6,9-12H2,1-4H3,(H2,27,35)(H,28,30)(H,31,34)/t22-/m1/s1
InChIKeyZLXYCHQCDQTMLF-JOCHJYFZSA-N
XLogP3.90
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 69247595) is 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is CC[C@@H](NC(=O)c1cnc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1)c1ccc(C)cc1C.
What is the InChIKey of 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZLXYCHQCDQTMLF-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-5-22(19-8-7-16(3)13-17(19)4)31-25(34)21-14-28-24-20(15-29-33(24)6-2)23(21)30-18-9-11-32(12-10-18)26(27)35/h7-8,13-15,18,22H,5-6,9-12H2,1-4H3,(H2,27,35)(H,28,30)(H,31,34)/t22-/m1/s1.
What are the key properties of 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-carbamoylpiperidin-4-yl)amino]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69247595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).