N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide

C26H25N3O4 — CID 10203822

IUPACN-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide
SMILESCOc1ccc(-c2cc(=O)c3cc(C(C)C(=O)Nc4cc(C5CCC5)[nH]n4)ccc3o2)cc1
InChIInChI=1S/C26H25N3O4/c1-15(26(31)27-25-13-21(28-29-25)16-4-3-5-16)18-8-11-23-20(12-18)22(30)14-24(33-23)17-6-9-19(32-2)10-7-17/h6-16H,3-5H2,1-2H3,(H2,27,28,29,31)
InChIKeyWNALWGHNMNGBHL-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.20
Rot. Bonds6

About N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide

N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide (PubChem CID 10203822) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide
PubChem CID10203822
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide
SMILESCOc1ccc(-c2cc(=O)c3cc(C(C)C(=O)Nc4cc(C5CCC5)[nH]n4)ccc3o2)cc1
InChIInChI=1S/C26H25N3O4/c1-15(26(31)27-25-13-21(28-29-25)16-4-3-5-16)18-8-11-23-20(12-18)22(30)14-24(33-23)17-6-9-19(32-2)10-7-17/h6-16H,3-5H2,1-2H3,(H2,27,28,29,31)
InChIKeyWNALWGHNMNGBHL-UHFFFAOYSA-N
XLogP5.20
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide?
The IUPAC name of N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide (CID 10203822) is N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide.
What is the SMILES notation for N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide?
The canonical SMILES for N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide is COc1ccc(-c2cc(=O)c3cc(C(C)C(=O)Nc4cc(C5CCC5)[nH]n4)ccc3o2)cc1.
What is the InChIKey of N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide?
The InChIKey is WNALWGHNMNGBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-15(26(31)27-25-13-21(28-29-25)16-4-3-5-16)18-8-11-23-20(12-18)22(30)14-24(33-23)17-6-9-19(32-2)10-7-17/h6-16H,3-5H2,1-2H3,(H2,27,28,29,31).
What are the key properties of N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide?
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide has a molecular weight of 443.50 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]propanamide is sourced from PubChem (CID 10203822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).