[2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone

C29H24FN5O4 — CID 118138273

IUPAC[2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2)cc1F
InChIInChI=1S/C29H24FN5O4/c30-23-16-21(39-20-4-2-1-3-5-20)7-9-26(23)35-28(31)22(17-32-35)27(36)25-15-19-14-18(6-8-24(19)33-25)29(37)34-10-12-38-13-11-34/h1-9,14-17,33H,10-13,31H2
InChIKeyALZXLQMBUNQGFN-UHFFFAOYSA-N
MW525.54 g/mol
LogP4.57
Rot. Bonds6

About [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone

[2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 118138273) has the molecular formula C29H24FN5O4 and a molecular weight of 525.54 g/mol. Its IUPAC name is [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
PubChem CID118138273
Molecular FormulaC29H24FN5O4
Molecular Weight525.54 g/mol
Exact Mass525.18
IUPAC Name[2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2)cc1F
InChIInChI=1S/C29H24FN5O4/c30-23-16-21(39-20-4-2-1-3-5-20)7-9-26(23)35-28(31)22(17-32-35)27(36)25-15-19-14-18(6-8-24(19)33-25)29(37)34-10-12-38-13-11-34/h1-9,14-17,33H,10-13,31H2
InChIKeyALZXLQMBUNQGFN-UHFFFAOYSA-N
XLogP4.57
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.54
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (CID 118138273) is [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is Nc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2)cc1F.
What is the InChIKey of [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is ALZXLQMBUNQGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O4/c30-23-16-21(39-20-4-2-1-3-5-20)7-9-26(23)35-28(31)22(17-32-35)27(36)25-15-19-14-18(6-8-24(19)33-25)29(37)34-10-12-38-13-11-34/h1-9,14-17,33H,10-13,31H2.
What are the key properties of [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
[2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 525.54 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118138273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).