6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H35N7O4 — CID 77465761

About 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 77465761) has the molecular formula C27H35N7O4 and a molecular weight of 521.62 g/mol. Its IUPAC name is 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 77465761
• Molecular Formula: C27H35N7O4
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.28
• IUPAC Name: 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)CC(N)CO)CC2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C27H35N7O4/c1-15(2)34-25-22(13-30-34)20(26(37)29-12-21-16(3)9-17(4)31-27(21)38)11-23(32-25)18-5-7-33(8-6-18)24(36)10-19(28)14-35/h5,9,11,13,15,19,21,35H,6-8,10,12,14,28H2,1-4H3,(H,29,37)
• InChIKey: TVIOBJBBJVIPNH-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 155.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 77465761) is 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)CC(N)CO)CC2)nc2c1cnn2C(C)C.

What is the InChIKey of 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is TVIOBJBBJVIPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O4/c1-15(2)34-25-22(13-30-34)20(26(37)29-12-21-16(3)9-17(4)31-27(21)38)11-23(32-25)18-5-7-33(8-6-18)24(36)10-19(28)14-35/h5,9,11,13,15,19,21,35H,6-8,10,12,14,28H2,1-4H3,(H,29,37).

What are the key properties of 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 521.62 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 77465761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).