[2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate

C32H32F2N4O5 — CID 135155562

IUPAC[2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate
SMILESCNC(=O)Oc1c(F)cccc1C(=O)Nc1cccc(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)c1C
InChIInChI=1S/C32H32F2N4O5/c1-15-17(7-6-10-23(15)38-30(40)19-8-5-9-21(33)28(19)43-31(41)36-4)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-24(18)37-27/h5-10,14,16,37,42H,11-13H2,1-4H3,(H2,35,39)(H,36,41)(H,38,40)/t16-/m0/s1
InChIKeyIEXIDAQGCXYTKW-INIZCTEOSA-N
MW590.63 g/mol
LogP5.37
Rot. Bonds6

About [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate

[2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate (PubChem CID 135155562) has the molecular formula C32H32F2N4O5 and a molecular weight of 590.63 g/mol. Its IUPAC name is [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate
PubChem CID135155562
Molecular FormulaC32H32F2N4O5
Molecular Weight590.63 g/mol
Exact Mass590.23
IUPAC Name[2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate
SMILESCNC(=O)Oc1c(F)cccc1C(=O)Nc1cccc(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)c1C
InChIInChI=1S/C32H32F2N4O5/c1-15-17(7-6-10-23(15)38-30(40)19-8-5-9-21(33)28(19)43-31(41)36-4)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-24(18)37-27/h5-10,14,16,37,42H,11-13H2,1-4H3,(H2,35,39)(H,36,41)(H,38,40)/t16-/m0/s1
InChIKeyIEXIDAQGCXYTKW-INIZCTEOSA-N
XLogP5.37
TPSA146.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.63
LogP ≤ 55.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate with MolForge

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Related Compounds

3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 129237159
(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 86582336
7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 154407267
3-fluoro-4-[3-[formyl(methyl)amino]-2-methylphenyl]-7-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 129236991
5-tert-butyl-2-[[3-[1-carbamoyl-7-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]benzoic acid
CID 66606358
4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 151268678
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 141366296
4-[3-[ethenylsulfanyl(methyl)amino]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 146208468
7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide
CID 141366153
5-fluoro-2,3-dimethyl-4-(2,3,4,5-tetrahydro-1,5-benzoxazepin-9-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 175880830
(7S)-3-fluoro-4-[3-(8-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-4,5,6,7,8,9-hexahydro-3H-carbazole-1-carboxamide
CID 129237322
[5-(3-amino-2-methylphenyl)-8-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl]carbamic acid
CID 90839151

Frequently Asked Questions

What is the IUPAC name of [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate?
The IUPAC name of [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate (CID 135155562) is [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate.
What is the SMILES notation for [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate?
The canonical SMILES for [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate is CNC(=O)Oc1c(F)cccc1C(=O)Nc1cccc(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)c1C.
What is the InChIKey of [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate?
The InChIKey is IEXIDAQGCXYTKW-INIZCTEOSA-N. The full InChI is InChI=1S/C32H32F2N4O5/c1-15-17(7-6-10-23(15)38-30(40)19-8-5-9-21(33)28(19)43-31(41)36-4)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-24(18)37-27/h5-10,14,16,37,42H,11-13H2,1-4H3,(H2,35,39)(H,36,41)(H,38,40)/t16-/m0/s1.
What are the key properties of [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate?
[2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate has a molecular weight of 590.63 g/mol, XLogP of 5.37, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate is sourced from PubChem (CID 135155562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).