7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide

C23H27FN4O3 — CID 166221366

IUPAC7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(F)c2[nH]c(C(=O)Nc3ccccc3OCCN3CCN(C)CC3)cc12
InChIInChI=1S/C23H27FN4O3/c1-27-9-11-28(12-10-27)13-14-31-21-6-4-3-5-18(21)26-23(29)19-15-16-20(30-2)8-7-17(24)22(16)25-19/h3-8,15,25H,9-14H2,1-2H3,(H,26,29)
InChIKeyAVVGEKKURLHEDC-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.19
Rot. Bonds7

About 7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide

7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide (PubChem CID 166221366) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
PubChem CID166221366
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(F)c2[nH]c(C(=O)Nc3ccccc3OCCN3CCN(C)CC3)cc12
InChIInChI=1S/C23H27FN4O3/c1-27-9-11-28(12-10-27)13-14-31-21-6-4-3-5-18(21)26-23(29)19-15-16-20(30-2)8-7-17(24)22(16)25-19/h3-8,15,25H,9-14H2,1-2H3,(H,26,29)
InChIKeyAVVGEKKURLHEDC-UHFFFAOYSA-N
XLogP3.19
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
CID 167974582
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide
CID 56782304
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 32577025
2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide
CID 154756269
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide
CID 71878336
3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553486
(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone
CID 139007473
N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 134110162
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
(7-fluoro-4-methoxy-1H-indol-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 136538978
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxamide
CID 166381252

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide (CID 166221366) is 7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide is COc1ccc(F)c2[nH]c(C(=O)Nc3ccccc3OCCN3CCN(C)CC3)cc12.
What is the InChIKey of 7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide?
The InChIKey is AVVGEKKURLHEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-27-9-11-28(12-10-27)13-14-31-21-6-4-3-5-18(21)26-23(29)19-15-16-20(30-2)8-7-17(24)22(16)25-19/h3-8,15,25H,9-14H2,1-2H3,(H,26,29).
What are the key properties of 7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide?
7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166221366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).