N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide

C13H18N4O3 — CID 130207474

IUPACN-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1[nH]c2cn[nH]c2c(=O)c1CNC(=O)C(C)(C)C
InChIInChI=1S/C13H18N4O3/c1-13(2,3)12(19)14-5-7-10(18)9-8(6-15-17-9)16-11(7)20-4/h6H,5H2,1-4H3,(H,14,19)(H,15,17)(H,16,18)
InChIKeyLQRBLQKWOJHCQQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.92
Rot. Bonds3

About N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide

N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 130207474) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide
PubChem CID130207474
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1[nH]c2cn[nH]c2c(=O)c1CNC(=O)C(C)(C)C
InChIInChI=1S/C13H18N4O3/c1-13(2,3)12(19)14-5-7-10(18)9-8(6-15-17-9)16-11(7)20-4/h6H,5H2,1-4H3,(H,14,19)(H,15,17)(H,16,18)
InChIKeyLQRBLQKWOJHCQQ-UHFFFAOYSA-N
XLogP0.92
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide
CID 118544472
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544290
N-[[6-(dimethylamino)-2-methyl-4-oxo-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide
CID 118544293
N-[[6-ethyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide
CID 118544314
5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one
CID 90426501
2,2-dimethyl-N-(pyrimidin-5-ylmethyl)propanamide
CID 130396721
2-methyl-2-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 62846720
N-[(6-cyano-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544441
2,2-dimethyl-N-(1,2,5-oxadiazol-3-ylmethyl)propanamide
CID 137394990
ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide
CID 144654853

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide (CID 130207474) is N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide is COc1[nH]c2cn[nH]c2c(=O)c1CNC(=O)C(C)(C)C.
What is the InChIKey of N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is LQRBLQKWOJHCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-13(2,3)12(19)14-5-7-10(18)9-8(6-15-17-9)16-11(7)20-4/h6H,5H2,1-4H3,(H,14,19)(H,15,17)(H,16,18).
What are the key properties of N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide?
N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 278.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130207474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).