4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide

C20H30FN5O — CID 146395544

IUPAC4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)NC1CNCC(N3CCN(C)CC3)C1)C2
InChIInChI=1S/C20H30FN5O/c1-13-3-4-17(21)16-10-18(24-19(13)16)20(27)23-14-9-15(12-22-11-14)26-7-5-25(2)6-8-26/h3-4,14-15,18,22,24H,5-12H2,1-2H3,(H,23,27)
InChIKeyGMFOJBQBZSQGAL-UHFFFAOYSA-N
MW375.49 g/mol
LogP0.56
Rot. Bonds3

About 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395544) has the molecular formula C20H30FN5O and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146395544
Molecular FormulaC20H30FN5O
Molecular Weight375.49 g/mol
Exact Mass375.24
IUPAC Name4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)NC1CNCC(N3CCN(C)CC3)C1)C2
InChIInChI=1S/C20H30FN5O/c1-13-3-4-17(21)16-10-18(24-19(13)16)20(27)23-14-9-15(12-22-11-14)26-7-5-25(2)6-8-26/h3-4,14-15,18,22,24H,5-12H2,1-2H3,(H,23,27)
InChIKeyGMFOJBQBZSQGAL-UHFFFAOYSA-N
XLogP0.56
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

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,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,3R)-3-[4-(oxetane-3-carbonyl)piperazin-1-yl]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146394885
4-fluoro-7-methyl-N-[1-(1-methylpiperidin-4-yl)imidazolidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395256
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,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,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-[(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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146395544) is 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)NC1CNCC(N3CCN(C)CC3)C1)C2.
What is the InChIKey of 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is GMFOJBQBZSQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN5O/c1-13-3-4-17(21)16-10-18(24-19(13)16)20(27)23-14-9-15(12-22-11-14)26-7-5-25(2)6-8-26/h3-4,14-15,18,22,24H,5-12H2,1-2H3,(H,23,27).
What are the key properties of 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-[5-(4-methylpiperazin-1-yl)piperidin-3-yl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).