5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide

C25H31FN4O2 — CID 71221045

IUPAC5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
SMILESCOCCCNCc1ccc(F)c(-c2cc(C(N)=O)c3[nH]cc(C4CCNCC4)c3c2)c1
InChIInChI=1S/C25H31FN4O2/c1-32-10-2-7-29-14-16-3-4-23(26)19(11-16)18-12-20-22(17-5-8-28-9-6-17)15-30-24(20)21(13-18)25(27)31/h3-4,11-13,15,17,28-30H,2,5-10,14H2,1H3,(H2,27,31)
InChIKeySVHLZEGEUVPGDJ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.67
Rot. Bonds9

About 5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide

5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide (PubChem CID 71221045) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
PubChem CID71221045
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
SMILESCOCCCNCc1ccc(F)c(-c2cc(C(N)=O)c3[nH]cc(C4CCNCC4)c3c2)c1
InChIInChI=1S/C25H31FN4O2/c1-32-10-2-7-29-14-16-3-4-23(26)19(11-16)18-12-20-22(17-5-8-28-9-6-17)15-30-24(20)21(13-18)25(27)31/h3-4,11-13,15,17,28-30H,2,5-10,14H2,1H3,(H2,27,31)
InChIKeySVHLZEGEUVPGDJ-UHFFFAOYSA-N
XLogP3.67
TPSA92.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 71221095
3-(1-ethylsulfonylpiperidin-4-yl)-5-[2-fluoro-5-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66722913
5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 71220927
3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]-1H-indole-7-carboxamide
CID 68790663
5-[3-[(butan-2-ylamino)methyl]-5-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 71221093
3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-[3-(methylaminomethyl)phenyl]-1H-indole-7-carboxamide
CID 59003351
ethanethiol;5-[3-(hydroxymethyl)phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 143079375
5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
CID 59003287
3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 59003292
3-(1,1-dihydroxythian-4-yl)-5-(3,4,5-trifluorophenyl)-1H-indole-7-carboxamide
CID 66746456
5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
CID 66747080
3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide
CID 11154979

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
The IUPAC name of 5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide (CID 71221045) is 5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
The canonical SMILES for 5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide is COCCCNCc1ccc(F)c(-c2cc(C(N)=O)c3[nH]cc(C4CCNCC4)c3c2)c1.
What is the InChIKey of 5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
The InChIKey is SVHLZEGEUVPGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-32-10-2-7-29-14-16-3-4-23(26)19(11-16)18-12-20-22(17-5-8-28-9-6-17)15-30-24(20)21(13-18)25(27)31/h3-4,11-13,15,17,28-30H,2,5-10,14H2,1H3,(H2,27,31).
What are the key properties of 5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.67, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 71221045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).