[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate

C51H62FN7O11 — CID 123167245

IUPAC[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate
SMILESCCN(CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C)C(=O)OCC1c2cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc2-c2ccc(C(=O)NCCOCCOCCOC)cc21
InChIInChI=1S/C51H62FN7O11/c1-8-59(19-17-54-48(63)44-30(2)43(57-31(44)3)28-40-39-27-34(52)11-14-42(39)58-47(40)62)50(65)69-29-41-37-25-32(45(60)53-15-16-56-49(64)70-51(4,5)6)9-12-35(37)36-13-10-33(26-38(36)41)46(61)55-18-20-67-23-24-68-22-21-66-7/h9-14,25-28,41,57H,8,15-24,29H2,1-7H3,(H,53,60)(H,54,63)(H,55,61)(H,56,64)(H,58,62)
InChIKeyHUQXKFBWZGCDLW-UHFFFAOYSA-N
MW968.09 g/mol
LogP5.93
Rot. Bonds22

About [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate

[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate (PubChem CID 123167245) has the molecular formula C51H62FN7O11 and a molecular weight of 968.09 g/mol. Its IUPAC name is [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Name[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate
PubChem CID123167245
Molecular FormulaC51H62FN7O11
Molecular Weight968.09 g/mol
Exact Mass967.45
IUPAC Name[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate
SMILESCCN(CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C)C(=O)OCC1c2cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc2-c2ccc(C(=O)NCCOCCOCCOC)cc21
InChIInChI=1S/C51H62FN7O11/c1-8-59(19-17-54-48(63)44-30(2)43(57-31(44)3)28-40-39-27-34(52)11-14-42(39)58-47(40)62)50(65)69-29-41-37-25-32(45(60)53-15-16-56-49(64)70-51(4,5)6)9-12-35(37)36-13-10-33(26-38(36)41)46(61)55-18-20-67-23-24-68-22-21-66-7/h9-14,25-28,41,57H,8,15-24,29H2,1-7H3,(H,53,60)(H,54,63)(H,55,61)(H,56,64)(H,58,62)
InChIKeyHUQXKFBWZGCDLW-UHFFFAOYSA-N
XLogP5.93
TPSA227.75 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500968.09
LogP ≤ 55.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate 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-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate?
The IUPAC name of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate (CID 123167245) is [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate is CCN(CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C)C(=O)OCC1c2cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc2-c2ccc(C(=O)NCCOCCOCCOC)cc21.
What is the InChIKey of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate?
The InChIKey is HUQXKFBWZGCDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H62FN7O11/c1-8-59(19-17-54-48(63)44-30(2)43(57-31(44)3)28-40-39-27-34(52)11-14-42(39)58-47(40)62)50(65)69-29-41-37-25-32(45(60)53-15-16-56-49(64)70-51(4,5)6)9-12-35(37)36-13-10-33(26-38(36)41)46(61)55-18-20-67-23-24-68-22-21-66-7/h9-14,25-28,41,57H,8,15-24,29H2,1-7H3,(H,53,60)(H,54,63)(H,55,61)(H,56,64)(H,58,62).
What are the key properties of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate?
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate has a molecular weight of 968.09 g/mol, XLogP of 5.93, 22 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 123167245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).