2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone

C30H31N3O2 — CID 147778044

IUPAC2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
SMILESO=C(Cc1ccc2c(cnn2-c2ccc(CCC3CC3)cc2)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C30H31N3O2/c34-30(25-8-12-27(13-9-25)32-15-17-35-18-16-32)20-24-7-14-29-26(19-24)21-31-33(29)28-10-5-23(6-11-28)4-3-22-1-2-22/h5-14,19,21-22H,1-4,15-18,20H2
InChIKeyHHFRVPLNZVENLP-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.63
Rot. Bonds8

About 2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone

2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone (PubChem CID 147778044) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
PubChem CID147778044
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC Name2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
SMILESO=C(Cc1ccc2c(cnn2-c2ccc(CCC3CC3)cc2)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C30H31N3O2/c34-30(25-8-12-27(13-9-25)32-15-17-35-18-16-32)20-24-7-14-29-26(19-24)21-31-33(29)28-10-5-23(6-11-28)4-3-22-1-2-22/h5-14,19,21-22H,1-4,15-18,20H2
InChIKeyHHFRVPLNZVENLP-UHFFFAOYSA-N
XLogP5.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone (CID 147778044) is 2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone is O=C(Cc1ccc2c(cnn2-c2ccc(CCC3CC3)cc2)c1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone?
The InChIKey is HHFRVPLNZVENLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c34-30(25-8-12-27(13-9-25)32-15-17-35-18-16-32)20-24-7-14-29-26(19-24)21-31-33(29)28-10-5-23(6-11-28)4-3-22-1-2-22/h5-14,19,21-22H,1-4,15-18,20H2.
What are the key properties of 2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone?
2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone has a molecular weight of 465.60 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 147778044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).