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

C30H37N7O2 — CID 77465598

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN3CCN(C)CC3)c2)nc2c1cnn2C(C)C
InChIInChI=1S/C30H37N7O2/c1-19(2)37-28-26(17-32-37)24(29(38)31-16-25-20(3)13-21(4)33-30(25)39)15-27(34-28)23-8-6-7-22(14-23)18-36-11-9-35(5)10-12-36/h6-8,13-15,17,19,25H,9-12,16,18H2,1-5H3,(H,31,38)
InChIKeyYECCJRUGLNTHAL-UHFFFAOYSA-N
MW527.67 g/mol
LogP3.72
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 77465598) has the molecular formula C30H37N7O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID77465598
Molecular FormulaC30H37N7O2
Molecular Weight527.67 g/mol
Exact Mass527.30
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN3CCN(C)CC3)c2)nc2c1cnn2C(C)C
InChIInChI=1S/C30H37N7O2/c1-19(2)37-28-26(17-32-37)24(29(38)31-16-25-20(3)13-21(4)33-30(25)39)15-27(34-28)23-8-6-7-22(14-23)18-36-11-9-35(5)10-12-36/h6-8,13-15,17,19,25H,9-12,16,18H2,1-5H3,(H,31,38)
InChIKeyYECCJRUGLNTHAL-UHFFFAOYSA-N
XLogP3.72
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-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 N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 77465598) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN3CCN(C)CC3)c2)nc2c1cnn2C(C)C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YECCJRUGLNTHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O2/c1-19(2)37-28-26(17-32-37)24(29(38)31-16-25-20(3)13-21(4)33-30(25)39)15-27(34-28)23-8-6-7-22(14-23)18-36-11-9-35(5)10-12-36/h6-8,13-15,17,19,25H,9-12,16,18H2,1-5H3,(H,31,38).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 527.67 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 77465598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).