[3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate

C17H18FN3O3 — CID 175520280

IUPAC[3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(C3=CCC(OC(N)=O)C3)c2c1C
InChIInChI=1S/C17H18FN3O3/c1-7-8(2)21-15-11(16(19)22)6-12(18)14(13(7)15)9-3-4-10(5-9)24-17(20)23/h3,6,10,21H,4-5H2,1-2H3,(H2,19,22)(H2,20,23)
InChIKeySORNZKGGOZYINF-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.66
Rot. Bonds3

About [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate

[3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate (PubChem CID 175520280) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate.

Molecular Properties

Compound Name[3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate
PubChem CID175520280
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name[3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(C3=CCC(OC(N)=O)C3)c2c1C
InChIInChI=1S/C17H18FN3O3/c1-7-8(2)21-15-11(16(19)22)6-12(18)14(13(7)15)9-3-4-10(5-9)24-17(20)23/h3,6,10,21H,4-5H2,1-2H3,(H2,19,22)(H2,20,23)
InChIKeySORNZKGGOZYINF-UHFFFAOYSA-N
XLogP2.66
TPSA111.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate with MolForge

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

Launch Full Analysis

Related Compounds

4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
CID 164585782
4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride
CID 164585861
5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide
CID 121293797
[(1S)-3-(7-cyano-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] N-tert-butylcarbamate
CID 175520332
5-fluoro-2,3-dimethyl-4-[(5S)-5-(pent-2-ynoylamino)cyclohexen-1-yl]-1H-indole-7-carboxamide
CID 175957975
5-fluoro-2,3-dimethyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 131747448
4-[(5S)-5-(but-2-ynoylamino)cyclohexen-1-yl]-3-chloro-5-fluoro-2-methyl-1H-indole-7-carboxamide
CID 164585831
4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
CID 121294146
5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-1H-indole-7-carboxylic acid
CID 175764617
8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
CID 156888365
4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride
CID 175877001
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

Frequently Asked Questions

What is the IUPAC name of [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate?
The IUPAC name of [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate (CID 175520280) is [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate.
What is the SMILES notation for [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate?
The canonical SMILES for [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate is Cc1[nH]c2c(C(N)=O)cc(F)c(C3=CCC(OC(N)=O)C3)c2c1C.
What is the InChIKey of [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate?
The InChIKey is SORNZKGGOZYINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-7-8(2)21-15-11(16(19)22)6-12(18)14(13(7)15)9-3-4-10(5-9)24-17(20)23/h3,6,10,21H,4-5H2,1-2H3,(H2,19,22)(H2,20,23).
What are the key properties of [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate?
[3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate has a molecular weight of 331.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate is sourced from PubChem (CID 175520280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).