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

C25H28N6O2 — CID 56597562

IUPACN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccncc2)nc2c1cnn2C(C)C
InChIInChI=1S/C25H28N6O2/c1-5-6-18-11-16(4)29-25(33)20(18)13-27-24(32)19-12-22(17-7-9-26-10-8-17)30-23-21(19)14-28-31(23)15(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,27,32)(H,29,33)
InChIKeyDJCPQWZBLRFOMD-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.95
Rot. Bonds7

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

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56597562) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID56597562
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccncc2)nc2c1cnn2C(C)C
InChIInChI=1S/C25H28N6O2/c1-5-6-18-11-16(4)29-25(33)20(18)13-27-24(32)19-12-22(17-7-9-26-10-8-17)30-23-21(19)14-28-31(23)15(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,27,32)(H,29,33)
InChIKeyDJCPQWZBLRFOMD-UHFFFAOYSA-N
XLogP3.95
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 56597562) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccncc2)nc2c1cnn2C(C)C.
What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DJCPQWZBLRFOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-5-6-18-11-16(4)29-25(33)20(18)13-27-24(32)19-12-22(17-7-9-26-10-8-17)30-23-21(19)14-28-31(23)15(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,27,32)(H,29,33).
What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56597562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).