7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

C19H28N4O2 — CID 71562537

IUPAC7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C19H28N4O2/c1-4-5-11-23-12-15(18(25)20-14-9-7-6-8-10-14)17(24)16-13(2)21-22(3)19(16)23/h12,14H,4-11H2,1-3H3,(H,20,25)
InChIKeyCCRVBVOPXQWFCB-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.91
Rot. Bonds5

About 7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71562537) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71562537
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C19H28N4O2/c1-4-5-11-23-12-15(18(25)20-14-9-7-6-8-10-14)17(24)16-13(2)21-22(3)19(16)23/h12,14H,4-11H2,1-3H3,(H,20,25)
InChIKeyCCRVBVOPXQWFCB-UHFFFAOYSA-N
XLogP2.91
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (CID 71562537) is 7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is CCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21.
What is the InChIKey of 7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is CCRVBVOPXQWFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-5-11-23-12-15(18(25)20-14-9-7-6-8-10-14)17(24)16-13(2)21-22(3)19(16)23/h12,14H,4-11H2,1-3H3,(H,20,25).
What are the key properties of 7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71562537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).