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

C25H28N6O2 — CID 77465593

IUPAC6-[4-(aminomethyl)phenyl]-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(-c2ccc(CN)cc2)nc2c1cnn2C(C)C
InChIInChI=1S/C25H28N6O2/c1-14(2)31-23-21(13-28-31)19(10-22(30-23)18-7-5-17(11-26)6-8-18)24(32)27-12-20-15(3)9-16(4)29-25(20)33/h5-10,13-14,20H,11-12,26H2,1-4H3,(H,27,32)
InChIKeyOSYZPSRSGPYYJD-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.43
Rot. Bonds6

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

6-[4-(aminomethyl)phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 77465593) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 6-[4-(aminomethyl)phenyl]-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-[4-(aminomethyl)phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID77465593
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name6-[4-(aminomethyl)phenyl]-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(-c2ccc(CN)cc2)nc2c1cnn2C(C)C
InChIInChI=1S/C25H28N6O2/c1-14(2)31-23-21(13-28-31)19(10-22(30-23)18-7-5-17(11-26)6-8-18)24(32)27-12-20-15(3)9-16(4)29-25(20)33/h5-10,13-14,20H,11-12,26H2,1-4H3,(H,27,32)
InChIKeyOSYZPSRSGPYYJD-UHFFFAOYSA-N
XLogP3.43
TPSA115.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)phenyl]-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-[4-(aminomethyl)phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 77465593) is 6-[4-(aminomethyl)phenyl]-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-[4-(aminomethyl)phenyl]-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-[4-(aminomethyl)phenyl]-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(-c2ccc(CN)cc2)nc2c1cnn2C(C)C.
What is the InChIKey of 6-[4-(aminomethyl)phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OSYZPSRSGPYYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-14(2)31-23-21(13-28-31)19(10-22(30-23)18-7-5-17(11-26)6-8-18)24(32)27-12-20-15(3)9-16(4)29-25(20)33/h5-10,13-14,20H,11-12,26H2,1-4H3,(H,27,32).
What are the key properties of 6-[4-(aminomethyl)phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-[4-(aminomethyl)phenyl]-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 444.54 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)phenyl]-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 77465593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).