[5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

C25H20N4O3 — CID 118138227

IUPAC[5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESCOc1cc(Oc2ccccc2)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
InChIInChI=1S/C25H20N4O3/c1-31-23-14-18(32-17-8-3-2-4-9-17)11-12-22(23)29-25(26)19(15-27-29)24(30)21-13-16-7-5-6-10-20(16)28-21/h2-15,28H,26H2,1H3
InChIKeyNECFQJONEHAJID-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.97
Rot. Bonds6

About [5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

[5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 118138227) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is [5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
PubChem CID118138227
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name[5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESCOc1cc(Oc2ccccc2)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
InChIInChI=1S/C25H20N4O3/c1-31-23-14-18(32-17-8-3-2-4-9-17)11-12-22(23)29-25(26)19(15-27-29)24(30)21-13-16-7-5-6-10-20(16)28-21/h2-15,28H,26H2,1H3
InChIKeyNECFQJONEHAJID-UHFFFAOYSA-N
XLogP4.97
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CID 118138227) is [5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is COc1cc(Oc2ccccc2)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N.
What is the InChIKey of [5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is NECFQJONEHAJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-31-23-14-18(32-17-8-3-2-4-9-17)11-12-22(23)29-25(26)19(15-27-29)24(30)21-13-16-7-5-6-10-20(16)28-21/h2-15,28H,26H2,1H3.
What are the key properties of [5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
[5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 424.46 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methoxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 118138227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).