[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone

C31H27F2N5O4 — CID 118138358

IUPAC[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Oc2cccc(F)c2F)cc(C)c1-n1ncc(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)c1N
InChIInChI=1S/C31H27F2N5O4/c1-17-12-21(42-26-5-3-4-23(32)27(26)33)13-18(2)28(17)38-30(34)22(16-35-38)29(39)25-15-20-14-19(6-7-24(20)36-25)31(40)37-8-10-41-11-9-37/h3-7,12-16,36H,8-11,34H2,1-2H3
InChIKeyDCAYNDKXJSYVKI-UHFFFAOYSA-N
MW571.58 g/mol
LogP5.33
Rot. Bonds6

About [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone

[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 118138358) has the molecular formula C31H27F2N5O4 and a molecular weight of 571.58 g/mol. Its IUPAC name is [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
PubChem CID118138358
Molecular FormulaC31H27F2N5O4
Molecular Weight571.58 g/mol
Exact Mass571.20
IUPAC Name[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Oc2cccc(F)c2F)cc(C)c1-n1ncc(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)c1N
InChIInChI=1S/C31H27F2N5O4/c1-17-12-21(42-26-5-3-4-23(32)27(26)33)13-18(2)28(17)38-30(34)22(16-35-38)29(39)25-15-20-14-19(6-7-24(20)36-25)31(40)37-8-10-41-11-9-37/h3-7,12-16,36H,8-11,34H2,1-2H3
InChIKeyDCAYNDKXJSYVKI-UHFFFAOYSA-N
XLogP5.33
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.58
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (CID 118138358) is [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is Cc1cc(Oc2cccc(F)c2F)cc(C)c1-n1ncc(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)c1N.
What is the InChIKey of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is DCAYNDKXJSYVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2N5O4/c1-17-12-21(42-26-5-3-4-23(32)27(26)33)13-18(2)28(17)38-30(34)22(16-35-38)29(39)25-15-20-14-19(6-7-24(20)36-25)31(40)37-8-10-41-11-9-37/h3-7,12-16,36H,8-11,34H2,1-2H3.
What are the key properties of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 571.58 g/mol, XLogP of 5.33, 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-[4-(2,3-difluorophenoxy)-2,6-dimethylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118138358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).