5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide

C20H23N5O3 — CID 86342042

IUPAC5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C4CCOCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C20H23N5O3/c1-2-28-15-4-3-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-7-27-8-6-14/h3-4,9-11,14H,2,5-8,21H2,1H3,(H2,22,26)
InChIKeyVTPYDZCVVYWSRL-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.53
Rot. Bonds5

About 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide

5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide (PubChem CID 86342042) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide
PubChem CID86342042
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(C4CCOCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C20H23N5O3/c1-2-28-15-4-3-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-7-27-8-6-14/h3-4,9-11,14H,2,5-8,21H2,1H3,(H2,22,26)
InChIKeyVTPYDZCVVYWSRL-UHFFFAOYSA-N
XLogP2.53
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide (CID 86342042) is 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(C4CCOCC4)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide?
The InChIKey is VTPYDZCVVYWSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-28-15-4-3-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-7-27-8-6-14/h3-4,9-11,14H,2,5-8,21H2,1H3,(H2,22,26).
What are the key properties of 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide?
5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86342042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).