4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

C19H27FN4O2 — CID 146394960

IUPAC4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)N[C@@H]1CCC[C@H](C3NNC(C)O3)C1)C2
InChIInChI=1S/C19H27FN4O2/c1-10-6-7-15(20)14-9-16(22-17(10)14)18(25)21-13-5-3-4-12(8-13)19-24-23-11(2)26-19/h6-7,11-13,16,19,22-24H,3-5,8-9H2,1-2H3,(H,21,25)/t11?,12-,13+,16?,19?/m0/s1
InChIKeyNPAZZVXYHLMOQO-ZMGFXNENSA-N
MW362.45 g/mol
LogP1.94
Rot. Bonds3

About 4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394960) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394960
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC Name4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)N[C@@H]1CCC[C@H](C3NNC(C)O3)C1)C2
InChIInChI=1S/C19H27FN4O2/c1-10-6-7-15(20)14-9-16(22-17(10)14)18(25)21-13-5-3-4-12(8-13)19-24-23-11(2)26-19/h6-7,11-13,16,19,22-24H,3-5,8-9H2,1-2H3,(H,21,25)/t11?,12-,13+,16?,19?/m0/s1
InChIKeyNPAZZVXYHLMOQO-ZMGFXNENSA-N
XLogP1.94
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-fluoro-7-methyl-N-[(1R,3S)-3-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395471
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,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
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,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-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394562
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146394960) is 4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)N[C@@H]1CCC[C@H](C3NNC(C)O3)C1)C2.
What is the InChIKey of 4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is NPAZZVXYHLMOQO-ZMGFXNENSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-10-6-7-15(20)14-9-16(22-17(10)14)18(25)21-13-5-3-4-12(8-13)19-24-23-11(2)26-19/h6-7,11-13,16,19,22-24H,3-5,8-9H2,1-2H3,(H,21,25)/t11?,12-,13+,16?,19?/m0/s1.
What are the key properties of 4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 1.94, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-[(1R,3S)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).