N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

C21H31N5O3 — CID 71562651

IUPACN-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2CCN1CCOCC1
InChIInChI=1S/C21H31N5O3/c1-15-18-19(27)17(20(28)22-16-6-4-3-5-7-16)14-26(21(18)24(2)23-15)9-8-25-10-12-29-13-11-25/h14,16H,3-13H2,1-2H3,(H,22,28)
InChIKeyRGOYFUXOVMJGSI-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.44
Rot. Bonds5

About N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71562651) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71562651
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC NameN-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2CCN1CCOCC1
InChIInChI=1S/C21H31N5O3/c1-15-18-19(27)17(20(28)22-16-6-4-3-5-7-16)14-26(21(18)24(2)23-15)9-8-25-10-12-29-13-11-25/h14,16H,3-13H2,1-2H3,(H,22,28)
InChIKeyRGOYFUXOVMJGSI-UHFFFAOYSA-N
XLogP1.44
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (CID 71562651) is N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2c1c(=O)c(C(=O)NC1CCCCC1)cn2CCN1CCOCC1.
What is the InChIKey of N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is RGOYFUXOVMJGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-15-18-19(27)17(20(28)22-16-6-4-3-5-7-16)14-26(21(18)24(2)23-15)9-8-25-10-12-29-13-11-25/h14,16H,3-13H2,1-2H3,(H,22,28).
What are the key properties of N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71562651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).