5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide

C26H33FN4O — CID 71221095

IUPAC5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
SMILESCC(C)(C)CNCc1ccc(F)c(-c2cc(C(N)=O)c3[nH]cc(C4CCNCC4)c3c2)c1
InChIInChI=1S/C26H33FN4O/c1-26(2,3)15-30-13-16-4-5-23(27)19(10-16)18-11-20-22(17-6-8-29-9-7-17)14-31-24(20)21(12-18)25(28)32/h4-5,10-12,14,17,29-31H,6-9,13,15H2,1-3H3,(H2,28,32)
InChIKeyHFMSXTVIPNFBHX-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.68
Rot. Bonds6

About 5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide

5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide (PubChem CID 71221095) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is 5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
PubChem CID71221095
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC Name5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
SMILESCC(C)(C)CNCc1ccc(F)c(-c2cc(C(N)=O)c3[nH]cc(C4CCNCC4)c3c2)c1
InChIInChI=1S/C26H33FN4O/c1-26(2,3)15-30-13-16-4-5-23(27)19(10-16)18-11-20-22(17-6-8-29-9-7-17)14-31-24(20)21(12-18)25(28)32/h4-5,10-12,14,17,29-31H,6-9,13,15H2,1-3H3,(H2,28,32)
InChIKeyHFMSXTVIPNFBHX-UHFFFAOYSA-N
XLogP4.68
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-fluoro-5-[(3-methoxypropylamino)methyl]phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 71221045
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
5-[3-[(butan-2-ylamino)methyl]-5-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 71221093
ethanethiol;5-[3-(hydroxymethyl)phenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide
CID 143079375
3-(1,1-dihydroxythian-4-yl)-5-(3,4,5-trifluorophenyl)-1H-indole-7-carboxamide
CID 66746456
3-(1,1-dioxothian-4-yl)-5-(3,4,5-trifluorophenyl)-1H-indole-7-carboxamide
CID 66746457
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
5-[4-[(butanoylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 66722998
3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide
CID 66746755
5-[3-[(3,3-dimethylbutan-2-ylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 74830292

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
The IUPAC name of 5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide (CID 71221095) is 5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
The canonical SMILES for 5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide is CC(C)(C)CNCc1ccc(F)c(-c2cc(C(N)=O)c3[nH]cc(C4CCNCC4)c3c2)c1.
What is the InChIKey of 5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
The InChIKey is HFMSXTVIPNFBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-26(2,3)15-30-13-16-4-5-23(27)19(10-16)18-11-20-22(17-6-8-29-9-7-17)14-31-24(20)21(12-18)25(28)32/h4-5,10-12,14,17,29-31H,6-9,13,15H2,1-3H3,(H2,28,32).
What are the key properties of 5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide?
5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.68, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2,2-dimethylpropylamino)methyl]-2-fluorophenyl]-3-piperidin-4-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 71221095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).