N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H33N5O2 — CID 60513563

IUPACN-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C
InChIInChI=1S/C25H33N5O2/c1-6-29(7-2)23(31)13-10-14-26-25(32)20-15-22(19-12-9-8-11-18(19)5)28-24-21(20)16-27-30(24)17(3)4/h8-9,11-12,15-17H,6-7,10,13-14H2,1-5H3,(H,26,32)
InChIKeyCTWOEPMKRFHVJN-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.37
Rot. Bonds9

About N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60513563) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60513563
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C
InChIInChI=1S/C25H33N5O2/c1-6-29(7-2)23(31)13-10-14-26-25(32)20-15-22(19-12-9-8-11-18(19)5)28-24-21(20)16-27-30(24)17(3)4/h8-9,11-12,15-17H,6-7,10,13-14H2,1-5H3,(H,26,32)
InChIKeyCTWOEPMKRFHVJN-UHFFFAOYSA-N
XLogP4.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60513563) is N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(CC)C(=O)CCCNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C.
What is the InChIKey of N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CTWOEPMKRFHVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-6-29(7-2)23(31)13-10-14-26-25(32)20-15-22(19-12-9-8-11-18(19)5)28-24-21(20)16-27-30(24)17(3)4/h8-9,11-12,15-17H,6-7,10,13-14H2,1-5H3,(H,26,32).
What are the key properties of N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60513563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).