5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C18H21FN6O2 — CID 46208539

IUPAC5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCN2CCOCC2)cc1-c1cn2ccc(F)cc2n1
InChIInChI=1S/C18H21FN6O2/c1-23-16(15-12-25-4-2-13(19)10-17(25)21-15)11-14(22-23)18(26)20-3-5-24-6-8-27-9-7-24/h2,4,10-12H,3,5-9H2,1H3,(H,20,26)
InChIKeyAAHOTPXNZLNENH-UHFFFAOYSA-N
MW372.40 g/mol
LogP0.94
Rot. Bonds5

About 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 46208539) has the molecular formula C18H21FN6O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID46208539
Molecular FormulaC18H21FN6O2
Molecular Weight372.40 g/mol
Exact Mass372.17
IUPAC Name5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCN2CCOCC2)cc1-c1cn2ccc(F)cc2n1
InChIInChI=1S/C18H21FN6O2/c1-23-16(15-12-25-4-2-13(19)10-17(25)21-15)11-14(22-23)18(26)20-3-5-24-6-8-27-9-7-24/h2,4,10-12H,3,5-9H2,1H3,(H,20,26)
InChIKeyAAHOTPXNZLNENH-UHFFFAOYSA-N
XLogP0.94
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 46208539) is 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCCN2CCOCC2)cc1-c1cn2ccc(F)cc2n1.
What is the InChIKey of 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is AAHOTPXNZLNENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O2/c1-23-16(15-12-25-4-2-13(19)10-17(25)21-15)11-14(22-23)18(26)20-3-5-24-6-8-27-9-7-24/h2,4,10-12H,3,5-9H2,1H3,(H,20,26).
What are the key properties of 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46208539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).