[3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate

C33H37F2N5O8S — CID 68757357

IUPAC[3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate
SMILESCCOc1ncccc1C1(OC(=O)ON2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2cc(F)c(F)cc21
InChIInChI=1S/C33H37F2N5O8S/c1-4-46-30-23(8-7-13-36-30)33(47-32(42)48-39-18-16-38(17-19-39)22-11-14-37(2)15-12-22)24-20-25(34)26(35)21-27(24)40(31(33)41)49(43,44)29-10-6-5-9-28(29)45-3/h5-10,13,20-22H,4,11-12,14-19H2,1-3H3
InChIKeyQIEUVKZWIYIQGC-UHFFFAOYSA-N
MW701.75 g/mol
LogP3.53
Rot. Bonds9

About [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate

[3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate (PubChem CID 68757357) has the molecular formula C33H37F2N5O8S and a molecular weight of 701.75 g/mol. Its IUPAC name is [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate.

Molecular Properties

Compound Name[3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate
PubChem CID68757357
Molecular FormulaC33H37F2N5O8S
Molecular Weight701.75 g/mol
Exact Mass701.23
IUPAC Name[3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate
SMILESCCOc1ncccc1C1(OC(=O)ON2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2cc(F)c(F)cc21
InChIInChI=1S/C33H37F2N5O8S/c1-4-46-30-23(8-7-13-36-30)33(47-32(42)48-39-18-16-38(17-19-39)22-11-14-37(2)15-12-22)24-20-25(34)26(35)21-27(24)40(31(33)41)49(43,44)29-10-6-5-9-28(29)45-3/h5-10,13,20-22H,4,11-12,14-19H2,1-3H3
InChIKeyQIEUVKZWIYIQGC-UHFFFAOYSA-N
XLogP3.53
TPSA131.05 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.75
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate with MolForge

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Related Compounds

[5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
CID 45107786
3-(2-ethoxy-3-pyridinyl)-1-(2-methoxyphenyl)sulfonyl-3-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]indol-2-one
CID 90097393
N-[6-cyano-3-(2-ethoxy-3-pyridinyl)-5-fluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-carboxamide
CID 42634729
[6-chloro-3-(2-ethoxy-3-pyridinyl)-5-fluoro-1-[2-methoxy-3-(4-methoxyphenyl)prop-2-enyl]sulfonyl-2-oxoindol-3-yl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate
CID 174649220
N-[1-(benzenesulfonyl)-6-chloro-3-(2-ethoxy-3-pyridinyl)-5-fluoro-2-oxoindol-3-yl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 42634552
2-[1-(benzenesulfonyl)-5-chloro-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid
CID 67087631
acetic acid;[5-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate
CID 160764427
N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 141248613
[5-chloro-3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate
CID 67163644
2-[5-cyano-3-(2-ethoxy-3-pyridinyl)-6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid
CID 67087517
2-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 67088213
[5-methoxy-1-(2-methoxy-4-methylphenyl)sulfonyl-2-oxo-3-(2-propoxyphenyl)indol-3-yl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate;dihydrochloride
CID 67163594

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate?
The IUPAC name of [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate (CID 68757357) is [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate.
What is the SMILES notation for [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate?
The canonical SMILES for [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate is CCOc1ncccc1C1(OC(=O)ON2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2cc(F)c(F)cc21.
What is the InChIKey of [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate?
The InChIKey is QIEUVKZWIYIQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F2N5O8S/c1-4-46-30-23(8-7-13-36-30)33(47-32(42)48-39-18-16-38(17-19-39)22-11-14-37(2)15-12-22)24-20-25(34)26(35)21-27(24)40(31(33)41)49(43,44)29-10-6-5-9-28(29)45-3/h5-10,13,20-22H,4,11-12,14-19H2,1-3H3.
What are the key properties of [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate?
[3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate has a molecular weight of 701.75 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxy-3-pyridinyl)-5,6-difluoro-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] [4-(1-methylpiperidin-4-yl)piperazin-1-yl] carbonate is sourced from PubChem (CID 68757357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).