4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride

C17H21ClFN3O — CID 164585861

IUPAC4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(C3=CCC[C@H](N)C3)c2c1C.Cl
InChIInChI=1S/C17H20FN3O.ClH/c1-8-9(2)21-16-12(17(20)22)7-13(18)15(14(8)16)10-4-3-5-11(19)6-10;/h4,7,11,21H,3,5-6,19H2,1-2H3,(H2,20,22);1H/t11-;/m0./s1
InChIKeyXYVKKUNGIMHVCU-MERQFXBCSA-N
MW337.83 g/mol
LogP3.34
Rot. Bonds2

About 4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride

4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride (PubChem CID 164585861) has the molecular formula C17H21ClFN3O and a molecular weight of 337.83 g/mol. Its IUPAC name is 4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride
PubChem CID164585861
Molecular FormulaC17H21ClFN3O
Molecular Weight337.83 g/mol
Exact Mass337.14
IUPAC Name4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(C3=CCC[C@H](N)C3)c2c1C.Cl
InChIInChI=1S/C17H20FN3O.ClH/c1-8-9(2)21-16-12(17(20)22)7-13(18)15(14(8)16)10-4-3-5-11(19)6-10;/h4,7,11,21H,3,5-6,19H2,1-2H3,(H2,20,22);1H/t11-;/m0./s1
InChIKeyXYVKKUNGIMHVCU-MERQFXBCSA-N
XLogP3.34
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
CID 164585782
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
CID 121293797
8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
CID 156888365
[3-(7-carbamoyl-5-fluoro-2,3-dimethyl-1H-indol-4-yl)cyclopent-3-en-1-yl] carbamate
CID 175520280
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
4-(3-amino-4-fluoropiperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride
CID 175877001
but-2-ynamide;3-chloro-4-(cyclohexen-1-yl)-5-fluoro-2-methyl-1H-indole-7-carboxamide
CID 164585673
4-[(3R)-3-(but-2-ynoylamino)cyclopentyl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
CID 164585667
5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-1H-indole-7-carboxylic acid
CID 175764617

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride?
The IUPAC name of 4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride (CID 164585861) is 4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride?
The canonical SMILES for 4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride is Cc1[nH]c2c(C(N)=O)cc(F)c(C3=CCC[C@H](N)C3)c2c1C.Cl.
What is the InChIKey of 4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride?
The InChIKey is XYVKKUNGIMHVCU-MERQFXBCSA-N. The full InChI is InChI=1S/C17H20FN3O.ClH/c1-8-9(2)21-16-12(17(20)22)7-13(18)15(14(8)16)10-4-3-5-11(19)6-10;/h4,7,11,21H,3,5-6,19H2,1-2H3,(H2,20,22);1H/t11-;/m0./s1.
What are the key properties of 4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride?
4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-aminocyclohexen-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide;hydrochloride is sourced from PubChem (CID 164585861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).