N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

C16H24N4O2 — CID 125139621

IUPACN-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCC[C@@H](C)NC(=O)c1cn(C)c2c(cnn2C)c1=O
InChIInChI=1S/C16H24N4O2/c1-5-6-7-8-11(2)18-15(22)13-10-19(3)16-12(14(13)21)9-17-20(16)4/h9-11H,5-8H2,1-4H3,(H,18,22)/t11-/m1/s1
InChIKeyPIBSQDVBBXOGQG-LLVKDONJSA-N
MW304.39 g/mol
LogP1.97
Rot. Bonds6

About N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 125139621) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID125139621
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCC[C@@H](C)NC(=O)c1cn(C)c2c(cnn2C)c1=O
InChIInChI=1S/C16H24N4O2/c1-5-6-7-8-11(2)18-15(22)13-10-19(3)16-12(14(13)21)9-17-20(16)4/h9-11H,5-8H2,1-4H3,(H,18,22)/t11-/m1/s1
InChIKeyPIBSQDVBBXOGQG-LLVKDONJSA-N
XLogP1.97
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.97
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-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (CID 125139621) is N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is CCCCC[C@@H](C)NC(=O)c1cn(C)c2c(cnn2C)c1=O.
What is the InChIKey of N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is PIBSQDVBBXOGQG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-5-6-7-8-11(2)18-15(22)13-10-19(3)16-12(14(13)21)9-17-20(16)4/h9-11H,5-8H2,1-4H3,(H,18,22)/t11-/m1/s1.
What are the key properties of N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 125139621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).