4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

C23H32FN5O2 — CID 146394562

IUPAC4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)N[C@@H]1CCC[C@H](N3CCC4(CC3)CNC(=O)N4)C1)C2
InChIInChI=1S/C23H32FN5O2/c1-14-5-6-18(24)17-12-19(27-20(14)17)21(30)26-15-3-2-4-16(11-15)29-9-7-23(8-10-29)13-25-22(31)28-23/h5-6,15-16,19,27H,2-4,7-13H2,1H3,(H,26,30)(H2,25,28,31)/t15-,16+,19?/m1/s1
InChIKeyHTOFTDBYOFBAHY-IEAUQHRDSA-N
MW429.54 g/mol
LogP2.05
Rot. Bonds3

About 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394562) has the molecular formula C23H32FN5O2 and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394562
Molecular FormulaC23H32FN5O2
Molecular Weight429.54 g/mol
Exact Mass429.25
IUPAC Name4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)N[C@@H]1CCC[C@H](N3CCC4(CC3)CNC(=O)N4)C1)C2
InChIInChI=1S/C23H32FN5O2/c1-14-5-6-18(24)17-12-19(27-20(14)17)21(30)26-15-3-2-4-16(11-15)29-9-7-23(8-10-29)13-25-22(31)28-23/h5-6,15-16,19,27H,2-4,7-13H2,1H3,(H,26,30)(H2,25,28,31)/t15-,16+,19?/m1/s1
InChIKeyHTOFTDBYOFBAHY-IEAUQHRDSA-N
XLogP2.05
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(1R,3R)-3-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395114
4-fluoro-7-methyl-N-[(1R,3S)-3-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395471
4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394676
N-[(1R,3S)-3-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394891
4-fluoro-7-methyl-N-[(1R,3R)-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395100
4-fluoro-7-methyl-N-[(1R,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394885
4-fluoro-7-methyl-N-[(1R,3S)-3-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395082
N-[(1R,3S)-3-[(3aR,6aR)-4-acetyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395233
N-[(1R,3R)-3-(5-acetyl-2,5-diazabicyclo[2.2.2]octan-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394824
N-[(1R,3S)-3-[(3R)-3-[ethyl(methylsulfonyl)amino]pyrrolidin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395158
N-[(1R)-3-[3-[acetyl(2-methoxyethyl)amino]pyrrolidin-1-yl]cyclohexyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395056
4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395544

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146394562) is 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)N[C@@H]1CCC[C@H](N3CCC4(CC3)CNC(=O)N4)C1)C2.
What is the InChIKey of 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is HTOFTDBYOFBAHY-IEAUQHRDSA-N. The full InChI is InChI=1S/C23H32FN5O2/c1-14-5-6-18(24)17-12-19(27-20(14)17)21(30)26-15-3-2-4-16(11-15)29-9-7-23(8-10-29)13-25-22(31)28-23/h5-6,15-16,19,27H,2-4,7-13H2,1H3,(H,26,30)(H2,25,28,31)/t15-,16+,19?/m1/s1.
What are the key properties of 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 2.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-[(1R,3S)-3-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).