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

C27H29FN4O2 — CID 71220927

IUPAC5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
SMILESCc1ccc(CNCc2cc(F)cc(-c3cc(C(N)=O)c4[nH]cc(C5CCNCC5)c4c3)c2)o1
InChIInChI=1S/C27H29FN4O2/c1-16-2-3-22(34-16)14-31-13-17-8-19(10-21(28)9-17)20-11-23-25(18-4-6-30-7-5-18)15-32-26(23)24(12-20)27(29)33/h2-3,8-12,15,18,30-32H,4-7,13-14H2,1H3,(H2,29,33)
InChIKeyHRIKGGMEXCXRNZ-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.73
Rot. Bonds7

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

5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide (PubChem CID 71220927) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
PubChem CID71220927
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC Name5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
SMILESCc1ccc(CNCc2cc(F)cc(-c3cc(C(N)=O)c4[nH]cc(C5CCNCC5)c4c3)c2)o1
InChIInChI=1S/C27H29FN4O2/c1-16-2-3-22(34-16)14-31-13-17-8-19(10-21(28)9-17)20-11-23-25(18-4-6-30-7-5-18)15-32-26(23)24(12-20)27(29)33/h2-3,8-12,15,18,30-32H,4-7,13-14H2,1H3,(H2,29,33)
InChIKeyHRIKGGMEXCXRNZ-UHFFFAOYSA-N
XLogP4.73
TPSA96.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[(butan-2-ylamino)methyl]-5-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 71221093
5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 71221095
3-(1-ethylsulfinylpiperidin-4-yl)-5-[3-fluoro-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]-1H-indole-7-carboxamide
CID 71220970
ethanethiol;5-[3-(hydroxymethyl)phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 143079375
5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 71221045
5-[3-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-5-fluorophenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 42630247
3-(1-ethylsulfonylpiperidin-2-yl)-5-[3-fluoro-5-[[[(2S)-2-methylbutyl]amino]methyl]phenyl]-1H-indole-7-carboxamide
CID 142693435
3-(1,1-dihydroxythian-4-yl)-5-(3-fluorophenyl)-1H-indole-7-carboxamide
CID 66746181
3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66723397
3-[(4S)-1,1-dihydroxy-2,2-dimethylthian-4-yl]-5-(4-fluorophenyl)-1H-indole-7-carboxamide
CID 66745950
3-(1,1-dioxothian-4-yl)-5-[5-(ethoxymethyl)furan-2-yl]-1H-indole-7-carboxamide
CID 66747106
3-(1,1-dioxothian-4-yl)-5-[5-(methoxymethyl)furan-2-yl]-1H-indole-7-carboxamide
CID 66747369

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
The IUPAC name of 5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide (CID 71220927) is 5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
The canonical SMILES for 5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide is Cc1ccc(CNCc2cc(F)cc(-c3cc(C(N)=O)c4[nH]cc(C5CCNCC5)c4c3)c2)o1.
What is the InChIKey of 5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
The InChIKey is HRIKGGMEXCXRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-16-2-3-22(34-16)14-31-13-17-8-19(10-21(28)9-17)20-11-23-25(18-4-6-30-7-5-18)15-32-26(23)24(12-20)27(29)33/h2-3,8-12,15,18,30-32H,4-7,13-14H2,1H3,(H2,29,33).
What are the key properties of 5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 4.73, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 71220927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).