6-[1-(3-amino-2-hydroxypropanoyl)-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

C26H33N7O4 — CID 77465665

IUPAC6-[1-(3-amino-2-hydroxypropanoyl)-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
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)C(O)CN)CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C26H33N7O4/c1-14(2)33-23-20(13-29-33)18(24(35)28-12-19-15(3)9-16(4)30-25(19)36)10-21(31-23)17-5-7-32(8-6-17)26(37)22(34)11-27/h5,9-10,13-14,19,22,34H,6-8,11-12,27H2,1-4H3,(H,28,35)
InChIKeyHEJBXVYVXRIEEN-UHFFFAOYSA-N
MW507.60 g/mol
LogP1.24
Rot. Bonds7

About 6-[1-(3-amino-2-hydroxypropanoyl)-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-2-hydroxypropanoyl)-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 77465665) has the molecular formula C26H33N7O4 and a molecular weight of 507.60 g/mol. Its IUPAC name is 6-[1-(3-amino-2-hydroxypropanoyl)-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 Name6-[1-(3-amino-2-hydroxypropanoyl)-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 CID77465665
Molecular FormulaC26H33N7O4
Molecular Weight507.60 g/mol
Exact Mass507.26
IUPAC Name6-[1-(3-amino-2-hydroxypropanoyl)-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
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2=CCN(C(=O)C(O)CN)CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C26H33N7O4/c1-14(2)33-23-20(13-29-33)18(24(35)28-12-19-15(3)9-16(4)30-25(19)36)10-21(31-23)17-5-7-32(8-6-17)26(37)22(34)11-27/h5,9-10,13-14,19,22,34H,6-8,11-12,27H2,1-4H3,(H,28,35)
InChIKeyHEJBXVYVXRIEEN-UHFFFAOYSA-N
XLogP1.24
TPSA155.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[1-(3-amino-2-hydroxypropanoyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-amino-2-hydroxypropanoyl)-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-2-hydroxypropanoyl)-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 77465665) is 6-[1-(3-amino-2-hydroxypropanoyl)-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-2-hydroxypropanoyl)-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-2-hydroxypropanoyl)-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)C(O)CN)CC2)nc2c1cnn2C(C)C.
What is the InChIKey of 6-[1-(3-amino-2-hydroxypropanoyl)-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 HEJBXVYVXRIEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O4/c1-14(2)33-23-20(13-29-33)18(24(35)28-12-19-15(3)9-16(4)30-25(19)36)10-21(31-23)17-5-7-32(8-6-17)26(37)22(34)11-27/h5,9-10,13-14,19,22,34H,6-8,11-12,27H2,1-4H3,(H,28,35).
What are the key properties of 6-[1-(3-amino-2-hydroxypropanoyl)-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-2-hydroxypropanoyl)-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 507.60 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-amino-2-hydroxypropanoyl)-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 77465665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).