N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

C21H22N6O2 — CID 167978492

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cn(C)c2c(cnn2C)c1=O
InChIInChI=1S/C21H22N6O2/c1-13-16(14(2)27(24-13)15-8-6-5-7-9-15)10-22-20(29)18-12-25(3)21-17(19(18)28)11-23-26(21)4/h5-9,11-12H,10H2,1-4H3,(H,22,29)
InChIKeyYSRLQEDTOOAZPD-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.00
Rot. Bonds4

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 167978492) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID167978492
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cn(C)c2c(cnn2C)c1=O
InChIInChI=1S/C21H22N6O2/c1-13-16(14(2)27(24-13)15-8-6-5-7-9-15)10-22-20(29)18-12-25(3)21-17(19(18)28)11-23-26(21)4/h5-9,11-12H,10H2,1-4H3,(H,22,29)
InChIKeyYSRLQEDTOOAZPD-UHFFFAOYSA-N
XLogP2.00
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86909385
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 134013910
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
1-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]isoquinoline-3-carboxamide
CID 55668901
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90489886
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78810073
methyl 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]pyridine-3-carboxylate
CID 134039468

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (CID 167978492) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cn(C)c2c(cnn2C)c1=O.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is YSRLQEDTOOAZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-13-16(14(2)27(24-13)15-8-6-5-7-9-15)10-22-20(29)18-12-25(3)21-17(19(18)28)11-23-26(21)4/h5-9,11-12H,10H2,1-4H3,(H,22,29).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 167978492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).