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

C34H36F2N6O5Si — CID 123176252

IUPAC[2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone
SMILESC[Si](C)(C)CCOCn1c(C(=O)c2cnn(-c3ccc(Oc4cccc(F)c4F)nc3)c2N)cc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C34H36F2N6O5Si/c1-48(2,3)16-15-46-21-41-27-9-7-22(34(44)40-11-13-45-14-12-40)17-23(27)18-28(41)32(43)25-20-39-42(33(25)37)24-8-10-30(38-19-24)47-29-6-4-5-26(35)31(29)36/h4-10,17-20H,11-16,21,37H2,1-3H3
InChIKeyKRVWHGYOEMOBNR-UHFFFAOYSA-N
MW674.78 g/mol
LogP5.89
Rot. Bonds11

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

[2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 123176252) has the molecular formula C34H36F2N6O5Si and a molecular weight of 674.78 g/mol. Its IUPAC name is [2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone
PubChem CID123176252
Molecular FormulaC34H36F2N6O5Si
Molecular Weight674.78 g/mol
Exact Mass674.25
IUPAC Name[2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone
SMILESC[Si](C)(C)CCOCn1c(C(=O)c2cnn(-c3ccc(Oc4cccc(F)c4F)nc3)c2N)cc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C34H36F2N6O5Si/c1-48(2,3)16-15-46-21-41-27-9-7-22(34(44)40-11-13-45-14-12-40)17-23(27)18-28(41)32(43)25-20-39-42(33(25)37)24-8-10-30(38-19-24)47-29-6-4-5-26(35)31(29)36/h4-10,17-20H,11-16,21,37H2,1-3H3
InChIKeyKRVWHGYOEMOBNR-UHFFFAOYSA-N
XLogP5.89
TPSA126.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.78
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-[5-amino-1-(2-fluoro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone
CID 123495312
[2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indol-5-yl]-morpholin-4-ylmethanone
CID 126512797
[2-[5-amino-1-[4-(5,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)oxy-2-methylphenyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone
CID 163751630
[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methanone
CID 123989574
[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-iodophenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 134408955
[2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 118138393
methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363474
[2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 118138417
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 18728366
[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-(difluoromethoxy)-6-morpholin-4-yl-1H-inden-2-yl]methanone
CID 152793739
2-[4-[5-amino-4-[5-(morpholine-4-carbonyl)-1H-indole-2-carbonyl]pyrazol-1-yl]-3-methylphenoxy]-N,N-dimethylbenzamide
CID 134409140
[2-[5-amino-1-[4-(3-bromophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 118138387

Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone (CID 123176252) is [2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone is C[Si](C)(C)CCOCn1c(C(=O)c2cnn(-c3ccc(Oc4cccc(F)c4F)nc3)c2N)cc2cc(C(=O)N3CCOCC3)ccc21.
What is the InChIKey of [2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is KRVWHGYOEMOBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F2N6O5Si/c1-48(2,3)16-15-46-21-41-27-9-7-22(34(44)40-11-13-45-14-12-40)17-23(27)18-28(41)32(43)25-20-39-42(33(25)37)24-8-10-30(38-19-24)47-29-6-4-5-26(35)31(29)36/h4-10,17-20H,11-16,21,37H2,1-3H3.
What are the key properties of [2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone?
[2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 674.78 g/mol, XLogP of 5.89, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-amino-1-[6-(2,3-difluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 123176252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).