1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C36H45N7O2 — CID 138404002

IUPAC1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CC(C)(C)NC(C)(C)C2)nc2c1cnn2C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C36H45N7O2/c1-23-16-24(2)39-34(45)29(23)20-37-33(44)28-17-31(26-18-35(3,4)41-36(5,6)19-26)40-32-30(28)21-38-43(32)27-12-14-42(15-13-27)22-25-10-8-7-9-11-25/h7-11,16-18,21,27,29,41H,12-15,19-20,22H2,1-6H3,(H,37,44)
InChIKeyVHTGQIFTMHJZFR-UHFFFAOYSA-N
MW607.80 g/mol
LogP5.50
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 138404002) has the molecular formula C36H45N7O2 and a molecular weight of 607.80 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID138404002
Molecular FormulaC36H45N7O2
Molecular Weight607.80 g/mol
Exact Mass607.36
IUPAC Name1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CC(C)(C)NC(C)(C)C2)nc2c1cnn2C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C36H45N7O2/c1-23-16-24(2)39-34(45)29(23)20-37-33(44)28-17-31(26-18-35(3,4)41-36(5,6)19-26)40-32-30(28)21-38-43(32)27-12-14-42(15-13-27)22-25-10-8-7-9-11-25/h7-11,16-18,21,27,29,41H,12-15,19-20,22H2,1-6H3,(H,37,44)
InChIKeyVHTGQIFTMHJZFR-UHFFFAOYSA-N
XLogP5.50
TPSA104.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 138404002) is 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CC(C)(C)NC(C)(C)C2)nc2c1cnn2C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VHTGQIFTMHJZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N7O2/c1-23-16-24(2)39-34(45)29(23)20-37-33(44)28-17-31(26-18-35(3,4)41-36(5,6)19-26)40-32-30(28)21-38-43(32)27-12-14-42(15-13-27)22-25-10-8-7-9-11-25/h7-11,16-18,21,27,29,41H,12-15,19-20,22H2,1-6H3,(H,37,44).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 607.80 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 138404002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).